SCHEMBL7308400

SCHEMBL7308400

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2ccc(F)cc2Cl)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CACNA1B Q00975 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 0.93 EBP (0.33) EBPSIGMAR1CACNA1B
SCHEMBL7304455 0.93 EBP (0.33) EBPSIGMAR1CACNA1B
SCHEMBL7304227 0.91 CACNA1B (0.33) EBPSIGMAR1CACNA1B
SCHEMBL7319052 0.91 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7307207 0.91 SLC6A4 (0.36) EBPSIGMAR1SLC6A2SLC6A4CACNA1B
SCHEMBL7312779 0.90 EBP (0.32) EBPSIGMAR1CACNA1B
SCHEMBL7310937 0.88 CACNA1B (0.33) EBPSIGMAR1CACNA1B
SCHEMBL7304766 0.88 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7309476 0.88 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7309121 0.87 EBP (0.33) EBPSIGMAR1SLC6A2SLC6A4CACNA1B

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