SCHEMBL27536629

SCHEMBL27536629

O=C(O)C(CCc1ccccc1)C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.53
CPB2 Q96IY4 1/20 0.53
GBA1 P04062 1/20 0.44
OPRD1 P41143 1/20 0.43
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH1 P35367 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL8129250 0.91 CPN1 (0.50) CPN1CPB2GBA1OPRD1SLC6A3
SCHEMBL20138488 0.88 CPN1 (0.43) CPN1CPB2GBA1OPRD1SLC6A4
SCHEMBL5652285 0.84 L3MBTL1 (0.52) L3MBTL1
SCHEMBL7875085 0.80 GBA1 (0.47) GBA1SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL9978780 0.76 GBA1 (0.47) GBA1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL8969997 0.76 GBA1 (0.47) GBA1SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL3087691 0.76 OPRD1 (0.40) GBA1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL23751460 0.76 CPN1 (0.48) CPN1CPB2GBA1CACNA2D1CACNA1B
SCHEMBL22765000 0.76 CPN1 (0.48) CPN1CPB2GBA1CACNA2D1CACNA1B
SCHEMBL23751454 0.76 CPN1 (0.48) CPN1CPB2GBA1CACNA2D1CACNA1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1094039-A Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1994-10-26 CN disclosed