SCHEMBL7313731

SCHEMBL7313731

COc1cccc(C[N@+]2(C(=O)CCCC[C@@](C#N)(c3ccccc3)C(C)C)CCCC2C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.38
SIGMAR1 Q99720 3/20 0.36
EBP Q15125 2/20 0.36
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ABCB1 P08183 2/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CYP3A4 P08684 1/20 0.32
EED O75530 1/20 0.32
FFAR1 O14842 2/20 0.32
CTSL P07711 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 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
SCHEMBL7311070 0.93 CACNA1B (0.38) CACNA1BSIGMAR1EBPCHRM2CHRM3
SCHEMBL7315000 0.92 EPHX1 (0.39) CACNA1BSIGMAR1EBPCHRM2CHRM3
SCHEMBL7301603 0.92 CACNA1B (0.36) CACNA1BSIGMAR1EBPCHRM2CHRM3
SCHEMBL7306036 0.91 EBP (0.41) CACNA1BSIGMAR1EBPCHRM3
SCHEMBL7316806 0.90 EBP (0.37) CACNA1BSIGMAR1EBPCHRM2CHRM1
SCHEMBL7305376 0.90 EBP (0.37) CACNA1BSIGMAR1EBPCHRM3
SCHEMBL7317234 0.89 EBP (0.37) CACNA1BSIGMAR1EBPCHRM2CHRM3
SCHEMBL7317745 0.89 EBP (0.37) CACNA1BSIGMAR1EBPCHRM2CHRM3
SCHEMBL7310134 0.89 EBP (0.37) CACNA1BSIGMAR1EBPCHRM2CHRM3
SCHEMBL7316004 0.89 EPHX1 (0.37) SIGMAR1EBPMEN1KMT2A

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