SCHEMBL7843560

SCHEMBL7843560

Cc1cccc(CC2(C#N)CCN(C(C)c3cncn3Cc3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.51
CYP11B2 P19099 11/20 0.51
FNTA P49354 7/20 0.46
FNTB P49356 7/20 0.46
PGGT1B P53609 4/20 0.46
CYP19A1 P11511 1/20 0.43

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 SCHEMBL7972325 0.93 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7840542 0.88 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7832497 0.85 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7839060 0.85 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7830778 0.83 FNTA (0.63) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7841107 0.82 FNTA (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7843372 0.81 FNTA (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7843563 0.81 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7838079 0.81 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7842219 0.80 FNTA (0.59) 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 4 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