SCHEMBL8866069

SCHEMBL8866069

CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NCCc1cncn1Cc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.61
FNTB P49356 18/20 0.61
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
PGGT1B P53609 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
SCHEMBL8865554 0.95 FNTA (0.55) FNTAFNTB
SCHEMBL8763043 0.93 FNTA (0.67) FNTAFNTBMMEACECPA1
SCHEMBL9060561 0.92 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL9060165 0.89 FNTA (0.62) FNTAFNTB
SCHEMBL9068133 0.88 FNTA (0.61) FNTAFNTB
SCHEMBL8865579 0.88 FNTA (0.71) FNTAFNTBMMEACECPA1
SCHEMBL8763050 0.87 FNTA (0.59) FNTAFNTB
SCHEMBL8866072 0.86 FNTA (0.69) FNTAFNTBMMEACECPA1
SCHEMBL8762235 0.86 FNTA (0.64) FNTAFNTB
SCHEMBL7516868 0.85 FNTA (0.63) FNTAFNTBPGGT1B

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
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 US disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed