SCHEMBL7307986

SCHEMBL7307986

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
PGGT1B P53609 4/20 0.42
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7316023 0.95 FNTA (0.43) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7312048 0.88 FNTA (0.39) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7313466 0.88 FNTA (0.39) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7305509 0.88 EBP (0.48) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7313580 0.88 FNTA (0.39) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7316235 0.88 FNTA (0.39) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7316588 0.88 TLR2 (0.45) FNTAFNTBPGGT1BEBPSIGMAR1
SCHEMBL7316501 0.87 CTSL (0.44) EBPSIGMAR1CTSSCTSKL3MBTL1
SCHEMBL7314922 0.85 EBP (0.43) EBPSIGMAR1CNR1CNR2L3MBTL1
SCHEMBL7304663 0.84 FNTA (0.40) FNTAFNTBPGGT1BCNR1CNR2

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
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed