SCHEMBL7535019

SCHEMBL7535019

CCCCN1Cc2cc(OC)ccc2CC1C(C(N)=O)(C(=O)O)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.40
FNTB P49356 11/20 0.40
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
PGGT1B P53609 5/20 0.38
CYP19A1 P11511 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL7475499 0.88 FNTA (0.39) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7477935 0.80 FNTA (0.48) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7536078 0.78 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7540069 0.77 FNTA (0.52) FNTAFNTBPGGT1BKCNH2
SCHEMBL7533109 0.76 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7533619 0.76 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7536083 0.76 FNTA (0.48) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7535017 0.76 CYP11B1 (0.47) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7474431 0.75 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7475174 0.70 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2PGGT1B

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-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP claimed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed