SCHEMBL7307207

SCHEMBL7307207

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2ccc(F)cc2C(F)(F)F)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.36
SLC6A2 P23975 14/20 0.36
SLC6A3 Q01959 2/20 0.33
EBP Q15125 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ALOX5 P09917 1/20 0.31
EPHX2 P34913 1/20 0.31
CACNA1B Q00975 1/20 0.31
P2RX7 Q99572 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
SCHEMBL7310043 0.92 EBP (0.33) EBPSIGMAR1CACNA1B
SCHEMBL7318147 0.92 EBP (0.34) SLC6A4SLC6A2SLC6A3EBPSIGMAR1
SCHEMBL7308400 0.91 EBP (0.32) SLC6A4SLC6A2EBPSIGMAR1CACNA1B
SCHEMBL7304227 0.90 CACNA1B (0.33) EBPSIGMAR1CACNA1B
SCHEMBL7313956 0.88 CACNA1B (0.32) EBPSIGMAR1CACNA1B
SCHEMBL7304766 0.87 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7309476 0.87 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7310134 0.87 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7307707 0.86 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7312779 0.86 EBP (0.32) EBPSIGMAR1CACNA1B

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