SCHEMBL7844880

SCHEMBL7844880

Cc1cccc(CC2(C(=O)NC(=O)c3cncn3Cc3ccc(C#N)cc3)CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.52
CYP11B2 P19099 10/20 0.52
FNTA P49354 6/20 0.48
FNTB P49356 6/20 0.48
PGGT1B P53609 1/20 0.48
CYP19A1 P11511 1/20 0.41
SSTR4 P31391 2/20 0.40
SSTR1 P30872 1/20 0.38

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
SCHEMBL7840503 0.87 FNTA (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7832061 0.86 CYP11B1 (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7845339 0.85 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7839327 0.79 FNTA (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7844877 0.79 FNTA (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7842219 0.77 FNTA (0.59) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7841581 0.76 FNTA (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7838094 0.75 FNTA (0.66) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7845336 0.74 FNTA (0.65) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7840542 0.74 FNTA (0.51) 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