SCHEMBL217963

SCHEMBL217963

[CH2]Cc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
CYP3A4 P08684 3/20 0.69
MAPT P10636 2/20 0.69
AHR P35869 1/20 0.69
GPR84 Q9NQS5 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
HTR2A P28223 4/20 0.60
CYP2D6 P10635 3/20 0.60
HTR2C P28335 3/20 0.60
HTR6 P50406 3/20 0.60
HTR1D P28221 2/20 0.60
HTR1B P28222 2/20 0.60
HTR7 P34969 2/20 0.60
MPO P05164 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2A6 P11509 1/20 0.60
NFKB1 P19838 1/20 0.60
CTSK P43235 1/20 0.60
CYP2A13 Q16696 1/20 0.60

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
SCHEMBL28214148 0.84 MEN1 (0.55) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL3676456 0.84 SLC6A4 (0.63) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL316624 0.83 HTR2A (0.67) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL7495793 0.83 SLC6A4 (0.61) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL7004146 0.83 HTR2A (0.71) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL7005718 0.83 HTR2A (0.71) MEN1KMT2ACYP3A4MAPTAHR
Arundine SCHEMBL325162 0.82 MEN1 (1.00) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL4985934 0.82 HTR2A (0.77) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL7496450 0.81 SLC6A4 (0.59) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL7004071 0.81 HTR2A (0.69) MEN1KMT2ACYP3A4MAPTAHR

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

Appears in 2469 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112624955-B Separation method of 3-indoloethyl (3 '-methyl-2' -ketone) valeramide 西北农林科技大学 2024-07-09 CN claimed
US-20240207253-A1 Inhibitors of CDR1 for Reversal of Azole Drug Resistance in Fungal Infections THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2024-06-27 US claimed
CN-117448254-A Preparation method and application of Glycyrrhiza glabra stem cells 广州梵之容化妆品有限公司 2024-01-26 CN claimed
WO-2023217764-A1 NOX INHIBITORS FOR USE IN THE TREATMENT OF ALPORT SYNDROME CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2023-11-16 WO claimed
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGXI NORMAL UNIVERSITY (CN) 2023-08-03 US claimed
CN-113292430-B Alpha-carbonyl alkenyl ester compound and preparation method and application thereof 江西师范大学 2022-11-29 CN claimed
CN-112778067-B Method for synthesizing thioamide compound by catalyzing 1,2, 3-thiadiazole compound and amine with copper 华南理工大学 2022-05-24 CN claimed
CN-113717141-A Formononetin derivative and preparation method and application thereof 云南大学 2021-11-30 CN claimed
CN-113712970-A Application of formononetin derivative in preparation of medicine for treating or preventing perimenopausal syndrome 云南大学 2021-11-30 CN claimed
EP-3523316-B1 MELANOCORTIN-1-RECEPTOR AGONISTS DSM IP ASSETS BV (NL) 2021-11-03 EP claimed
US-4528293-A Heteroaromatic derivatives of iminomethyl piperidines and use to inhibit gastric acid secretion MCNEILAB, INC. (US) 1985-07-09 US claimed
US-4512979-A Dipeptides containing thialysine and related amino acids as antihypertensives MERCK & CO., INC. (US) 1985-04-23 US claimed
EP-0132964-A2 2-Azabicyclo[2.2.2]octane derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-02-13 EP claimed
US-4496542-A HYPOTENSIVE AGENTS; ENZYME INHIBITORS USV PHARMACEUTICAL CORPORATION (US) 1985-01-29 US claimed
EP-0061768-A1 N-amido substituted dipeptides USV PHARMACEUTICAL CORPORATION (US) 1982-10-06 EP claimed
EP-0061186-A1 Dipeptides containing thialysine and homologs as antihypertensives MERCK & CO. INC. (US) 1982-09-29 EP claimed
EP-0004952-B1 SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES) AND DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-07 EP claimed
US-4188389-A 1,2,3,4-Tetrahydropyrrolo(1,2-A)pyrazines AYERST MCKENNA & HARRISON, INC. (CA) 1980-02-12 US claimed
EP-0004952-A1 Spiro-(dihydrobenzofuranpiperidines and -pyrrolidines) and derivatives thereof, methods for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP claimed
US-4093628-A HYPOTENSIVE AGENTS, BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-06-06 US claimed