SCHEMBL7832499

SCHEMBL7832499

Cc1ccccc1CC1(C#N)CCN(CCc2cncn2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.53
FNTB P49356 15/20 0.53
PGGT1B P53609 10/20 0.53
CYP11B1 P15538 5/20 0.49
CYP11B2 P19099 5/20 0.49
CYP19A1 P11511 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL7842732 0.92 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842611 0.92 FNTA (0.62) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7843563 0.85 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7972332 0.84 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844340 0.84 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7832497 0.81 CYP11B1 (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7831594 0.80 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7973979 0.80 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7972327 0.79 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7840756 0.79 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2

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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP claimed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP claimed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO claimed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed