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Sugi Predict / Compounds / SCHEMBL8866072

SCHEMBL8866072

SCHEMBL8866072

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

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 19/20 0.69
▸ FNTB P49356 19/20 0.69
▸ MME P08473 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 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
SCHEMBL8865579 0.96 FNTA (0.71) FNTAFNTBMMEACECPA1
SCHEMBL8763257 0.95 FNTA (0.63) FNTAFNTBMMEACECPA1
SCHEMBL8763043 0.94 FNTA (0.67) FNTAFNTBMMEACECPA1
SCHEMBL8865645 0.94 FNTA (0.61) FNTAFNTB
SCHEMBL8762235 0.92 FNTA (0.64) FNTAFNTB
SCHEMBL9068133 0.92 FNTA (0.61) FNTAFNTB
SCHEMBL7516854 0.91 FNTA (0.63) FNTAFNTB
SCHEMBL7516868 0.91 FNTA (0.63) FNTAFNTB
SCHEMBL16792190 0.91 FNTA (0.63) FNTAFNTB
SCHEMBL8763847 0.91 FNTA (0.63) 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 3 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
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO disclosed