SCHEMBL7316498

SCHEMBL7316498

COc1ccc(C(C#N)(CCCNC(=O)[C@H](CCSC)NC(c2ccccc2)c2ccccc2)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.38
GAA P10253 1/20 0.38
CACNA1B Q00975 3/20 0.38
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
ABCB1 P08183 2/20 0.36
CYP3A5 P20815 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
KEAP1 Q14145 1/20 0.35
BMP1 P13497 2/20 0.35

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) FNTAFNTBPGGT1BCYP3A4CTSS
SCHEMBL7312048 0.92 FNTA (0.39) FNTAFNTBPGGT1BCYP3A4CTSS
SCHEMBL7316235 0.92 FNTA (0.39) FNTAFNTBPGGT1BCYP3A4CTSS
SCHEMBL7314588 0.90 CACNA1B (0.38) FNTAFNTBPGGT1BCACNA1BCTSS
SCHEMBL7306029 0.89 FNTA (0.36) FNTAFNTBPGGT1BCYP3A4CTSS
SCHEMBL7313466 0.85 FNTA (0.39) FNTAFNTBPGGT1BCYP3A4CTSS
SCHEMBL7307016 0.85 EPHX2 (0.36) FNTAFNTBPGGT1BCTSSCTSK
SCHEMBL7316023 0.82 FNTA (0.43) FNTAFNTBPGGT1BCNR1CNR2
SCHEMBL7307986 0.81 FNTA (0.42) FNTAFNTBPGGT1BCNR1CNR2
SCHEMBL7304422 0.80 CTSL (0.50) CTSSCTSKCTSLCTSB

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