SCHEMBL7302652

SCHEMBL7302652

Cc1ccc(C[N@+]2(C(=O)CCCC[C@@](C#N)(c3ccccc3)C(C)C)CCCC2C(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CACNA1B Q00975 1/20 0.32

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
SCHEMBL7306036 0.95 EBP (0.41) EBPSIGMAR1CACNA1B
SCHEMBL7309476 0.93 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7311941 0.93 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7315131 0.93 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7310708 0.93 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7317799 0.92 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7308644 0.91 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7301603 0.91 CACNA1B (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7316806 0.91 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7309172 0.91 EBP (0.35) 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