SCHEMBL7302612

SCHEMBL7302612

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33
PAX8 Q06710 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CYP3A4 P08684 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL7310812 0.89 SIGMAR1 (0.46) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7316023 0.83 FNTA (0.43) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7307986 0.82 FNTA (0.42) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7316235 0.81 FNTA (0.39) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7312048 0.81 FNTA (0.39) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7313466 0.81 FNTA (0.39) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7313580 0.81 FNTA (0.39) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7305509 0.78 EBP (0.48) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7316588 0.78 TLR2 (0.45) EBPSIGMAR1FNTAFNTBPGGT1B
SCHEMBL7314588 0.76 CACNA1B (0.38) EBPSIGMAR1FNTAFNTBPGGT1B

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