SCHEMBL7315000

SCHEMBL7315000

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2cccc(OC(F)(F)F)c2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
CETP P11597 3/20 0.35
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CACNA1B Q00975 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
SCN9A Q15858 1/20 0.33
AMPD2 Q01433 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL7313731 0.92 CACNA1B (0.38) EBPSIGMAR1CACNA1BCHRM2CHRM3
SCHEMBL7319369 0.92 EPHX1 (0.34) EPHX1EBPSIGMAR1CACNA1BSCN9A
SCHEMBL7316004 0.90 EPHX1 (0.37) EPHX1EBPSIGMAR1
SCHEMBL7310134 0.89 EBP (0.37) EBPSIGMAR1CACNA1BCHRM2CHRM3
SCHEMBL7306036 0.89 EBP (0.41) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7305376 0.88 EBP (0.37) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7316806 0.88 EBP (0.37) EBPSIGMAR1CACNA1BCHRM2CHRM3
SCHEMBL7317745 0.88 EBP (0.37) EBPSIGMAR1CACNA1BCHRM2CHRM3
SCHEMBL7317234 0.88 EBP (0.37) EBPSIGMAR1CACNA1BSCN9ACHRM2
SCHEMBL7311104 0.87 EBP (0.35) EPHX1EBPSIGMAR1CACNA1B

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