SCHEMBL7826547

SCHEMBL7826547

N#Cc1ccc(CC(c2ccc(N3CC(=O)NCC3=O)cc2)c2cnc[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.46
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PGGT1B P53609 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
CPA1 P15085 1/20 0.32

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
SCHEMBL7850296 0.79 HRH3 (0.40) CYP19A1FNTAFNTBPGGT1BHRH3
SCHEMBL7826548 0.74 FNTA (0.44) CYP19A1FNTAFNTBPGGT1BHRH3
Hydrochloric Acid SCHEMBL7834168 0.74 FNTA (0.44) CYP19A1FNTAFNTBPGGT1BHRH3
SCHEMBL5552211 0.71 HRH3 (0.41) CYP19A1FNTAFNTBPGGT1BHRH3
SCHEMBL8009894 0.67 CYP19A1 (0.45) CYP19A1FNTAFNTBHRH3
SCHEMBL7845880 0.67 FNTA (0.49) CYP19A1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7840097 0.67 FNTA (0.48) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7703567 0.66 HRH3 (0.55) CYP19A1HRH3CPA1
SCHEMBL7703563 0.66 HRH3 (0.55) CYP19A1HRH3CPA1
SCHEMBL7053727 0.66 CPA1 (0.71) CYP19A1HRH3CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891349-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-01-24 EP claimed
EP-0891349-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1997036888-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-0891349-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-01-24 EP disclosed
EP-0891349-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036888-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed