SCHEMBL7834674

SCHEMBL7834674

N#Cc1ccc(CC(c2cnc[nH]2)N2CC(=O)N(Cc3ccccc3)CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
FNTA P49354 12/20 0.41
FNTB P49356 12/20 0.41
PGGT1B P53609 7/20 0.41
KCNH2 Q12809 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CPA1 P15085 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL7826548 0.87 FNTA (0.44) CYP19A1FNTAFNTBPGGT1BCPA1
Hydrochloric Acid SCHEMBL7834168 0.86 FNTA (0.44) CYP19A1FNTAFNTBPGGT1BCPA1
SCHEMBL7845880 0.81 FNTA (0.49) CYP19A1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7840097 0.80 FNTA (0.48) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7850296 0.79 HRH3 (0.40) CYP19A1FNTAFNTBPGGT1BCPA1
Hydrochloric Acid SCHEMBL7837018 0.76 CYP19A1 (0.37) CYP19A1FNTAFNTBPGGT1BKCNH2
SCHEMBL3845496 0.76 FNTA (0.53) CYP19A1FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7528885 0.75 FNTA (0.53) CYP19A1FNTAFNTBPGGT1BKCNH2
SCHEMBL5552211 0.72 HRH3 (0.41) CYP19A1FNTAFNTBPGGT1BCPA1
SCHEMBL7452182 0.72 OPRD1 (0.50) CYP19A1KCNH2CPA1HRH3

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