SCHEMBL7314588

SCHEMBL7314588

CSCC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)NCCCC(C#N)(c1ccc(F)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 2/20 0.37
CTSL P07711 6/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSB P07858 1/20 0.35
KMT2A Q03164 1/20 0.35
EBP Q15125 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7313580 0.94 FNTA (0.39) FNTAFNTBPGGT1BCTSLCTSS
SCHEMBL7316235 0.94 FNTA (0.39) FNTAFNTBPGGT1BCTSLCTSS
SCHEMBL7312048 0.94 FNTA (0.39) FNTAFNTBPGGT1BCTSLCTSS
SCHEMBL7306029 0.91 FNTA (0.36) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7316498 0.90 FNTA (0.39) CACNA1BFNTAFNTBPGGT1BCTSL
SCHEMBL7316936 0.88 CTSL (0.49) CACNA1BCTSLCTSSCTSKCTSB
SCHEMBL7313466 0.87 FNTA (0.39) FNTAFNTBPGGT1BCTSLCTSS
SCHEMBL7307016 0.86 EPHX2 (0.36) FNTAFNTBPGGT1BCTSLCTSS
SCHEMBL7316023 0.83 FNTA (0.43) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7307986 0.82 FNTA (0.42) FNTAFNTBPGGT1BCTSSCTSK

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