SCHEMBL8763284

SCHEMBL8763284

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.58
FNTB P49356 17/20 0.58
LCK P06239 2/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL8762235 0.96 FNTA (0.64) FNTAFNTBLCK
SCHEMBL8763050 0.94 FNTA (0.59) FNTAFNTB
SCHEMBL8763006 0.94 FNTA (0.59) FNTAFNTB
SCHEMBL8865542 0.94 FNTA (0.57) FNTAFNTB
SCHEMBL8865645 0.94 FNTA (0.61) FNTAFNTB
SCHEMBL7515310 0.93 FNTA (0.56) FNTAFNTBCYP11B1CYP11B2
SCHEMBL9060165 0.93 FNTA (0.62) FNTAFNTB
SCHEMBL7518259 0.92 FNTA (0.56) FNTAFNTB
SCHEMBL9068133 0.92 FNTA (0.61) FNTAFNTB
SCHEMBL8865579 0.91 FNTA (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO claimed
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