SCHEMBL7826548

SCHEMBL7826548

N#Cc1ccc(CC(c2cnc[nH]2)N2CC(=O)N(c3ccccc3)CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.44
FNTB P49356 10/20 0.44
PGGT1B P53609 6/20 0.44
CYP19A1 P11511 4/20 0.44
CPA1 P15085 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
NRAS P01111 1/20 0.36
HRAS P01112 1/20 0.36

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
Hydrochloric Acid SCHEMBL7834168 0.99 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1CPA1
SCHEMBL7845880 0.90 FNTA (0.49) FNTAFNTBPGGT1BCYP19A1NRAS
Hydrochloric Acid SCHEMBL7840097 0.89 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1NRAS
SCHEMBL7834674 0.87 CYP19A1 (0.45) FNTAFNTBPGGT1BCYP19A1CPA1
SCHEMBL7850296 0.81 HRH3 (0.40) FNTAFNTBPGGT1BCYP19A1CPA1
SCHEMBL8147489 0.80 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1NR1H4
SCHEMBL3845496 0.79 FNTA (0.53) FNTAFNTBPGGT1BCYP19A1NRAS
Hydrochloric Acid SCHEMBL7528885 0.78 FNTA (0.53) FNTAFNTBPGGT1BCYP19A1NRAS
SCHEMBL1683543 0.77 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7825652 0.77 CYP19A1 (0.43) FNTAFNTBPGGT1BCYP19A1CPA1

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 3 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