SCHEMBL6717845

SCHEMBL6717845

CCCC(CC)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 13/20 0.50
TAS1R1 Q7RTX1 13/20 0.50
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL5133204 0.90 TAS1R3 (0.50) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL1388452 0.86 CA2 (0.48) TAS1R3TAS1R1CA2CA1MAPK1
SCHEMBL28866263 0.86 CA2 (0.40) TAS1R3TAS1R1CA2CA12CA1
SCHEMBL4233769 0.85
SCHEMBL529507 0.85 PLA2G2C (0.46) CA2CA1MAPK1
Hydrochloric Acid SCHEMBL10822847 0.85 CA2 (0.47) TAS1R3TAS1R1CA2CA1MAPK1
SCHEMBL4284738 0.84 CA2 (0.39) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL4284741 0.84 CNR1 (0.41) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL11292593 0.83 PLA2G2C (0.49)
SCHEMBL28618729 0.83 PLA2G2C (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087353-B Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2023-10-24 CN disclosed
CN-116640140-A Polycyclic-carbamoyl pyridone compounds and pharmaceutical uses thereof 吉利德科学公司 2023-08-25 CN disclosed
WO-2023081232-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 CN disclosed
CN-110028491-B Fibroblast growth factor receptor inhibitors 缆图药品公司 2022-02-11 CN disclosed
CN-111848940-A Polycarbonate polyol compositions and methods 沙特阿美技术公司 2020-10-30 CN disclosed
CN-107266669-B Polycarbonate polyol compositions and methods 沙特阿美技术公司 2020-08-25 CN disclosed
CN-111087353-A Therapeutically active compounds and methods of use thereof 安吉奥斯医药品有限公司 2020-05-01 CN disclosed
CN-105473560-B Therapeutically active compounds and methods of use thereof 安吉奥斯医药品有限公司 2020-01-17 CN disclosed
CN-104995198-A POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC 2015-10-21 CN disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0604491-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-07-06 EP disclosed
WO-1993006090-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed