SCHEMBL7316588

SCHEMBL7316588

CSCC[C@H](NCc1ccccc1)C(=O)NCCC[C@@](C#N)(c1ccccc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.45
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ANPEP P15144 1/20 0.43
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
PGGT1B P53609 3/20 0.41

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
SCHEMBL7305509 0.93 EBP (0.48) EBPSIGMAR1ANPEPFNTAFNTB
SCHEMBL7316023 0.89 FNTA (0.43) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7307986 0.88 FNTA (0.42) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7313466 0.85 FNTA (0.39) EBPSIGMAR1ANPEPFNTAFNTB
SCHEMBL7313580 0.85 FNTA (0.39) EBPSIGMAR1ANPEPFNTAFNTB
SCHEMBL7312048 0.85 FNTA (0.39) EBPSIGMAR1ANPEPFNTAFNTB
SCHEMBL7316235 0.85 FNTA (0.39) EBPSIGMAR1ANPEPFNTAFNTB
SCHEMBL7303551 0.83 EBP (0.48) TLR2EBPSIGMAR1
SCHEMBL7310812 0.82 SIGMAR1 (0.46) EBPSIGMAR1ANPEPFNTAFNTB
SCHEMBL7306029 0.81 FNTA (0.36) EBPSIGMAR1ANPEPFNTAFNTB

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