SCHEMBL7846844

SCHEMBL7846844

N#Cc1ccc(CC(c2cnc[nH]2)N2CCc3sc(Br)cc3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34

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
SCHEMBL7852349 0.86 CYP19A1 (0.39) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7855272 0.85 HRH3 (0.38) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7744111 0.83 HRH3 (0.37) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7744150 0.83 HRH3 (0.37) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7746101 0.82 CYP19A1 (0.43) CYP19A1HRH3
SCHEMBL7738290 0.81 CYP19A1 (0.38) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7738285 0.80 HRH3 (0.37) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7743502 0.79 MAPT (0.43) CYP19A1HRH3
SCHEMBL7746089 0.78 CYP19A1 (0.36) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7738184 0.78 CYP19A1 (0.41) CYP19A1HRH3CYP11B1CYP11B2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015817-A IMIDAZOLE-SUBSTITUTED THIENO(3,2-C)PYRIDINE DERIVATIVES; ANTICARCINOGENIC AGENTS, VIRICIDES; NERVOUS SYSTEM DISORDERS, VISION DEFECTS, KIDNEY DISEASES MERCK & CO., INC. (US) 2000-01-18 US claimed
EP-1035850-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-09-12 EP disclosed
EP-1035850-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-09-20 EP disclosed
US-6015817-A IMIDAZOLE-SUBSTITUTED THIENO(3,2-C)PYRIDINE DERIVATIVES; ANTICARCINOGENIC AGENTS, VIRICIDES; NERVOUS SYSTEM DISORDERS, VISION DEFECTS, KIDNEY DISEASES MERCK & CO., INC. (US) 2000-01-18 US disclosed
WO-1999027929-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed