SCHEMBL7515310

SCHEMBL7515310

CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.56
FNTB P49356 18/20 0.56
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PGGT1B P53609 2/20 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
SCHEMBL9058006 0.96 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8763874 0.95 FNTA (0.55) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7516868 0.95 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL7516854 0.95 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL16792190 0.95 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL8763284 0.93 FNTA (0.58) FNTAFNTBCYP11B1CYP11B2
SCHEMBL8763050 0.92 FNTA (0.59) FNTAFNTB
SCHEMBL8763006 0.92 FNTA (0.59) FNTAFNTB
SCHEMBL8865542 0.92 FNTA (0.57) FNTAFNTB
SCHEMBL8865645 0.92 FNTA (0.61) FNTAFNTB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP claimed
JP-2001518281-A 2001-10-16 JP claimed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP claimed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP claimed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO claimed
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP disclosed
US-6103487-A DETECTING MODULATORS THAT SUPPRESS THE ACTIVITY OF A TRANSFERASES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 2000-08-15 US disclosed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
WO-2000016626-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 US disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed