SCHEMBL9060561

SCHEMBL9060561

CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NCCc1cncn1Cc1ccc2ccccc2c1.CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1ccccc1)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.58
FNTB P49356 20/20 0.58
PGGT1B P53609 1/20 0.33

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
SCHEMBL9060165 0.95 FNTA (0.62) FNTAFNTB
SCHEMBL8865554 0.94 FNTA (0.55) FNTAFNTB
SCHEMBL9068133 0.94 FNTA (0.61) FNTAFNTB
SCHEMBL8763050 0.93 FNTA (0.59) FNTAFNTB
SCHEMBL8866069 0.92 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL9058050 0.91 FNTA (0.56) FNTAFNTB
SCHEMBL8763043 0.91 FNTA (0.67) FNTAFNTBPGGT1B
SCHEMBL8763048 0.90 FNTA (0.51) FNTAFNTB
SCHEMBL8865579 0.88 FNTA (0.71) FNTAFNTBPGGT1B
SCHEMBL8763284 0.88 FNTA (0.58) 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 1 patent. 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