SCHEMBL7307016

SCHEMBL7307016

CSCC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)NCCCC(C#N)(c1cccnc1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
FNTA P49354 4/20 0.35
FNTB P49356 4/20 0.35
PGGT1B P53609 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
EBP Q15125 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GGT1 P19440 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
SCHEMBL7313580 0.92 FNTA (0.39) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7316235 0.92 FNTA (0.39) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7312048 0.92 FNTA (0.39) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7314588 0.86 CACNA1B (0.38) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7306029 0.85 FNTA (0.36) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7313466 0.85 FNTA (0.39) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7316498 0.85 FNTA (0.39) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7316023 0.81 FNTA (0.43) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7307986 0.81 FNTA (0.42) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7304422 0.79 CTSL (0.50) CTSSCTSKCTSLEBPSIGMAR1

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