SCHEMBL7832061

SCHEMBL7832061

Cc1ccccc1CC1(C(=O)NC(=O)c2cncn2Cc2ccc(C#N)cc2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.50
CYP11B2 P19099 8/20 0.50
FNTA P49354 11/20 0.47
FNTB P49356 11/20 0.47
PGGT1B P53609 7/20 0.47
CYP19A1 P11511 1/20 0.42

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
SCHEMBL7831433 0.87 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7844880 0.86 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7841401 0.85 FNTA (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7842379 0.79 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7832058 0.78 FNTA (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7831594 0.76 FNTA (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7855834 0.76 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7853068 0.74 FNTA (0.65) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7839757 0.74 FNTA (0.65) FNTAFNTBPGGT1B
SCHEMBL7840503 0.73 FNTA (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B

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 7 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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed