SCHEMBL7310064

SCHEMBL7310064

CC(C)C(C#N)(CCCCC(=O)N1CCC[C@@H]1C(=O)NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 1/20 0.42
DPP4 P27487 9/20 0.40
CCR2 P41597 1/20 0.40
FAP Q12884 3/20 0.39
KCNH2 Q12809 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM3 P20309 2/20 0.39
PREP P48147 1/20 0.38
DPP9 Q86TI2 1/20 0.38
PRSS1 P07477 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7310074 1.00 F2 (0.43) F2TACR1ALDH1A1DPP4CCR2
SCHEMBL7311110 0.96 TACR1 (0.46) F2TACR1ALDH1A1DPP4CCR2
SCHEMBL7311100 0.96 TACR1 (0.46) F2TACR1ALDH1A1DPP4CCR2
SCHEMBL7307704 0.95 F2 (0.46) F2ALDH1A1DPP4FAPKCNH2
SCHEMBL7307712 0.95 F2 (0.46) F2ALDH1A1DPP4FAPKCNH2
SCHEMBL7316012 0.92 F2 (0.50) F2TACR1ALDH1A1DPP4CYP3A4
SCHEMBL7315997 0.92 F2 (0.50) F2TACR1ALDH1A1DPP4CYP3A4
SCHEMBL7310139 0.90 F2 (0.50) F2ALDH1A1DPP4FAPKCNH2
SCHEMBL7310129 0.90 F2 (0.50) F2ALDH1A1DPP4FAPKCNH2
SCHEMBL7317805 0.90 CYP3A4 (0.45) F2ALDH1A1DPP4FAPKCNH2

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