SCHEMBL7313580

SCHEMBL7313580

CSCC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)NCCC[C@@](C#N)(c1ccccc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
PGGT1B P53609 4/20 0.39
EBP Q15125 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.36
ANPEP P15144 1/20 0.35
CYP3A4 P08684 1/20 0.34
CTSB P07858 1/20 0.34
TSHR P16473 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
SCHEMBL7316235 1.00 FNTA (0.39) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7312048 1.00 FNTA (0.39) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7314588 0.94 CACNA1B (0.38) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7306029 0.93 FNTA (0.36) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7313466 0.93 FNTA (0.39) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7316498 0.92 FNTA (0.39) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7307016 0.92 EPHX2 (0.36) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7316023 0.89 FNTA (0.43) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7307986 0.88 FNTA (0.42) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7304422 0.87 CTSL (0.50) EBPSIGMAR1CTSSCTSKCTSL

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
JP-10095758-A None JP disclosed
JP-H1095758-A TREATING AGENT FOR DISEASE OF CENTRAL NERVOUS SYSTEM LILLY IND LTD 1998-04-14 JP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed