SCHEMBL7310069

SCHEMBL7310069

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2cc(F)cc(C(F)(F)F)c2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TACR1 P25103 4/20 0.31
CACNA1B Q00975 1/20 0.31
EPHX1 P07099 3/20 0.31
UBE2M P61081 4/20 0.31
DCUN1D1 Q96GG9 4/20 0.31
CCR2 P41597 1/20 0.31
GPR52 Q9Y2T5 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
CETP P11597 1/20 0.30

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
SCHEMBL7311104 0.95 EBP (0.35) EBPSIGMAR1TACR1CACNA1BEPHX1
SCHEMBL7307707 0.95 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7316004 0.92 EPHX1 (0.37) EBPSIGMAR1EPHX1DPP4DPP8
SCHEMBL7310134 0.90 EBP (0.37) EBPSIGMAR1CACNA1BDPP4DPP8
SCHEMBL7317799 0.90 EBP (0.36) EBPSIGMAR1CACNA1BDPP4DPP8
SCHEMBL7309476 0.89 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7306036 0.88 EBP (0.41) EBPSIGMAR1CACNA1B
SCHEMBL7311941 0.88 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7317926 0.87 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7313956 0.87 CACNA1B (0.32) EBPSIGMAR1CACNA1BEPHX1

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