SCHEMBL9563264

SCHEMBL9563264

CC(COc1ccccc1[N+](=O)[O-])CN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2C19 P33261 1/20 0.46
BCHE P06276 3/20 0.45
CHRM2 P08172 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD1 P21728 2/20 0.44
SLC6A2 P23975 2/20 0.44
ADRA1A P35348 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
HTR1A P08908 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 1/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL9563210 0.89 L3MBTL1 (0.48) L3MBTL1CYP2D6KDM4ECYP2C19BCHE
SCHEMBL9563218 0.83 CYP2D6 (0.56) CYP2D6KDM4ECYP2C19BCHECHRM2
SCHEMBL9563343 0.83 L3MBTL1 (0.62) L3MBTL1CYP2D6KDM4ECYP2C19MAPT
SCHEMBL9563333 0.82 CYP2D6 (0.60) CYP2D6KDM4ECYP2C19BCHEALDH1A1
SCHEMBL9563327 0.82 DRD3 (0.49) L3MBTL1CYP2D6BCHECHRM2ADRA2A
SCHEMBL9563238 0.82 CYP2D6 (0.65) CYP2D6KDM4ECYP2C19BCHECHRM2
SCHEMBL9563349 0.81 CYP2D6 (0.64) CYP2D6KDM4ECYP2C19BCHECHRM2
SCHEMBL9563344 0.80 BCHE (0.45) L3MBTL1CYP2D6KDM4ECYP2C19BCHE
SCHEMBL9563341 0.80 BCHE (0.45) L3MBTL1CYP2D6KDM4ECYP2C19BCHE
SCHEMBL9563244 0.80 CYP2D6 (0.46) L3MBTL1CYP2D6KDM4ECYP2C19BCHE

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-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 US disclosed