SCHEMBL499696

SCHEMBL499696

[CH2]CCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.52
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HRH1 P35367 5/20 0.41
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
CHRM3 P20309 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2177659 0.88 HTR2A (0.54) HTR2ACA1CA2HRH1CHRM2
SCHEMBL7574105 0.85 HTR2A (0.61) HTR2ACA1CA2HRH1CHRM2
SCHEMBL17022715 0.85 HTR2A (0.61) HTR2ACA1CA2HRH1CHRM2
SCHEMBL5353138 0.83 HTR2A (0.64) HTR2ACA1CA2HRH1CHRM2
SCHEMBL499897 0.78 HTR2A (0.58) HTR2ACA1CA2CHRM2CHRM1
Hydrochloric Acid SCHEMBL6557729 0.78 HTR2A (0.58) HTR2ACA1CA2HRH1CHRM2
SCHEMBL14759063 0.77 HTR2A (0.52) HTR2ACA1CA2HRH1CHRM2
SCHEMBL31026220 0.77 HTR2A (0.52) HTR2ACA1CA2HRH1CHRM2
SCHEMBL313685 0.77 ACHE (0.55) HTR2ACA1CA2HRH1CHRM2
SCHEMBL8993284 0.77 HTR2A (0.52) HTR2ACA1CA2HRH1CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107072206-B Pesticidal compositions and related methods 美国陶氏益农公司 2020-02-21 CN claimed
CN-113382996-B Theophylline derivatives with nematicidal activity, agronomic compositions and related uses 高文作物保护公司 2024-07-16 CN disclosed
CN-118318839-A Use of substituted phenylamide isoxazoline compound for controlling thysanoptera pests 海利尔药业集团股份有限公司 2024-07-12 CN disclosed
CN-118290356-A Substituted benzil isoxazoline compound and application of preparation containing substituted benzil isoxazoline compound in preventing and controlling harmful mites and reducing reproductive power of harmful mites 海利尔药业集团股份有限公司 2024-07-05 CN disclosed
CN-117770262-A Molecules having pesticidal utility and compositions and methods related thereto 科迪华农业科技有限责任公司 2024-03-29 CN disclosed
CN-111164077-B Herbicidal 3-phenyl-5-trifluoromethyl isoxazoline-5-carboxamides of cyclopentylcarboxylic acids and esters thereof 拜耳公司 2023-12-19 CN disclosed
CN-111868042-B Herbicidal 3-phenylisoxazoline-5-carboxamides of cyclopentylcarboxylic acid derivatives 拜耳公司 2023-12-05 CN disclosed
CN-112778271-B Molecules having pesticidal utility and compositions and methods related thereto 科迪华农业科技有限责任公司 2023-11-28 CN disclosed
CN-115943143-A 1-pyrazinylpyrazolyl-3-oxyalkyl acids and derivatives thereof and their use for controlling undesired vegetation 拜耳公司 2023-04-07 CN disclosed
CN-115667231-A Substituted isophthalic acid diamides and their use as herbicides 拜耳公司 2023-01-31 CN disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
EP-0980375-A4 SILYLATED AND N-SILYLATED COMPOUND SYNTHESIS BOULDER SCIENT CO (US) 2003-01-22 EP disclosed
EP-0980375-A1 N-SILYLATED COMPOUND SYNTHESIS BOULDER SCIENTIFIC COMPANY (US) 2000-02-23 EP disclosed
WO-1999038871-A1 SILYLATED AND N-SILYLATED COMPOUND SYNTHESIS BOULDER SCIENTIFIC COMPANY (US) 1999-08-05 WO disclosed