SCHEMBL7318147

SCHEMBL7318147

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2ccccc2C(F)(F)F)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
DPP4 P27487 2/20 0.34
FAP Q12884 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
PRKCQ Q04759 2/20 0.33
PRKCD Q05655 2/20 0.33
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 1/20 0.32
CYP2C9 P11712 1/20 0.32
EPHX2 P34913 1/20 0.32
CACNA1B Q00975 1/20 0.31
EPHX1 P07099 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
SCHEMBL7307207 0.92 SLC6A4 (0.36) EBPSIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7304766 0.91 EBP (0.35) EBPSIGMAR1DPP4FAPDPP8
SCHEMBL7307317 0.90 EBP (0.35) EBPSIGMAR1DPP4FAPDPP8
SCHEMBL7316991 0.89 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7319052 0.89 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7317799 0.88 EBP (0.36) EBPSIGMAR1DPP4FAPDPP8
SCHEMBL7313956 0.88 CACNA1B (0.32) EBPSIGMAR1CACNA1BEPHX1
SCHEMBL7306036 0.88 EBP (0.41) EBPSIGMAR1CACNA1B
SCHEMBL7304395 0.88 EBP (0.34) EBPSIGMAR1CACNA1B
SCHEMBL7311104 0.88 EBP (0.35) EBPSIGMAR1DPP4DPP8DPP9

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