SCHEMBL7314647

SCHEMBL7314647

CC(C)C(C#N)(CC=CCCO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
CYP2D6 P10635 4/20 0.36
CYP3A4 P08684 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRM3 P20309 2/20 0.31
TSHR P16473 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 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
SCHEMBL7314643 1.00 EBP (0.42) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL7314638 1.00 EBP (0.42) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL5755328 0.79 EBP (0.48) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL7310100 0.78 EBP (0.43) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL7310097 0.78 EBP (0.43) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL7305092 0.77 EBP (0.47) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL5243028 0.77 EBP (0.47) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL5237762 0.76 EBP (0.59) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL7316926 0.74 EBP (0.56) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1
SCHEMBL7316917 0.74 EBP (0.56) EBPSIGMAR1CYP2D6CYP3A4L3MBTL1

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