SCHEMBL7311990

SCHEMBL7311990

Cc1cccc(Cl)c1C[N@+]1(C(=O)CCCC[C@@](C#N)(c2ccccc2)C(C)C)CCCC1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CACNA1B Q00975 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
SCHEMBL7302555 0.92 EBP (0.33) EBPSIGMAR1L3MBTL1CACNA1B
SCHEMBL7318071 0.91 EBP (0.32) EBPSIGMAR1CACNA1B
SCHEMBL7309121 0.90 EBP (0.33) EBPSIGMAR1DRD2DRD4OPRM1
SCHEMBL7319052 0.89 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7307317 0.88 EBP (0.35) EBPSIGMAR1L3MBTL1CACNA1B
SCHEMBL7304395 0.88 EBP (0.34) EBPSIGMAR1L3MBTL1CACNA1B
SCHEMBL7305200 0.87 EBP (0.34) EBPSIGMAR1CACNA1B
SCHEMBL7306036 0.86 EBP (0.41) EBPSIGMAR1CACNA1B
SCHEMBL7316116 0.86 CACNA1B (0.38) EBPSIGMAR1DRD2OPRM1DRD3
SCHEMBL7315131 0.86 EBP (0.36) 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