SCHEMBL7310100

SCHEMBL7310100

COC=CCC(C#N)(c1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP3A4 P08684 8/20 0.37
CYP2D6 P10635 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
CYP2C19 P33261 3/20 0.33
DRD2 P14416 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
ABCB1 P08183 5/20 0.32
CYP3A5 P20815 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ABCC1 P33527 3/20 0.31
MEN1 O00255 2/20 0.31
ABCB11 O95342 2/20 0.31
KMT2A Q03164 2/20 0.31
KCNH2 Q12809 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
SCHEMBL7310097 1.00 EBP (0.43) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL5755328 0.80 EBP (0.48) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL5243028 0.78 EBP (0.47) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL7305092 0.78 EBP (0.47) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL7314647 0.78 EBP (0.42) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL7314638 0.78 EBP (0.42) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL7314643 0.78 EBP (0.42) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL7753625 0.71 EBP (0.56) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL5226760 0.71 EBP (0.56) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1
SCHEMBL7310837 0.71 EBP (0.52) EBPSIGMAR1CYP3A4CYP2D6L3MBTL1

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