SCHEMBL7306029

SCHEMBL7306029

CCc1ccc(C(C#N)(CCCNC(=O)[C@H](CCSC)NC(c2ccccc2)c2ccccc2)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.36
FNTB P49356 4/20 0.36
PGGT1B P53609 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CYP3A4 P08684 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A5 P20815 1/20 0.34
CA1 P00915 1/20 0.34
CTSB P07858 2/20 0.34
ANPEP P15144 1/20 0.34
CA2 P00918 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 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 0.93 FNTA (0.39) FNTAFNTBPGGT1BL3MBTL1EBP
SCHEMBL7312048 0.93 FNTA (0.39) FNTAFNTBPGGT1BL3MBTL1EBP
SCHEMBL7316235 0.93 FNTA (0.39) FNTAFNTBPGGT1BL3MBTL1EBP
SCHEMBL7314588 0.91 CACNA1B (0.38) FNTAFNTBPGGT1BL3MBTL1EBP
SCHEMBL7316498 0.89 FNTA (0.39) FNTAFNTBPGGT1BCYP3A4CTSS
SCHEMBL7313466 0.86 FNTA (0.39) FNTAFNTBPGGT1BL3MBTL1EBP
SCHEMBL7307016 0.85 EPHX2 (0.36) FNTAFNTBPGGT1BL3MBTL1EBP
SCHEMBL7316023 0.83 FNTA (0.43) FNTAFNTBPGGT1BL3MBTL1EBP
SCHEMBL7307986 0.82 FNTA (0.42) FNTAFNTBPGGT1BL3MBTL1EBP
SCHEMBL7305509 0.81 EBP (0.48) FNTAFNTBPGGT1BEBPSIGMAR1

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