SCHEMBL7314910

SCHEMBL7314910

COC(=O)C(CCCCC(=O)[N@@+]1(C(c2ccccc2)c2ccccc2)CCCC1C(N)=O)(c1ccccc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 18/20 0.38
KCNH2 Q12809 6/20 0.38
CACNA1C Q13936 2/20 0.34
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 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
SCHEMBL7310741 0.85 CHRM2 (0.30) KCNH2CHRM2CHRM1CHRM3
SCHEMBL7317382 0.82
SCHEMBL8083545 0.82 EBP (0.39) KCNH2CACNA1CCHRM2
SCHEMBL7308385 0.82 EBP (0.39) KCNH2CACNA1CCHRM2
SCHEMBL7305146 0.82
SCHEMBL7315451 0.79 PTGER4 (0.30)
SCHEMBL7315081 0.78
SCHEMBL7318716 0.78
SCHEMBL7309070 0.75 EBP (0.39)
SCHEMBL7314199 0.75

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