SCHEMBL8865645

SCHEMBL8865645

CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.61
FNTB P49356 16/20 0.61
TSHR P16473 1/20 0.35
APOBEC3G Q9HC16 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
SCHEMBL8762248 0.95 FNTA (0.56) FNTAFNTBTSHRAPOBEC3G
SCHEMBL8763050 0.94 FNTA (0.59) FNTAFNTB
SCHEMBL8763006 0.94 FNTA (0.59) FNTAFNTBTSHRAPOBEC3G
SCHEMBL9068133 0.94 FNTA (0.61) FNTAFNTB
SCHEMBL8866072 0.94 FNTA (0.69) FNTAFNTB
SCHEMBL8763284 0.94 FNTA (0.58) FNTAFNTB
SCHEMBL9060165 0.93 FNTA (0.62) FNTAFNTB
SCHEMBL8865542 0.93 FNTA (0.57) FNTAFNTB
SCHEMBL7515310 0.92 FNTA (0.56) FNTAFNTB
SCHEMBL7518259 0.91 FNTA (0.56) 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 2 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