SCHEMBL9563288

SCHEMBL9563288

CC(CCN1CCC(OC(c2ccccc2)c2ccccc2)CC1)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.49
SLC6A2 P23975 4/20 0.47
CHRM2 P08172 3/20 0.47
ADRA2A P08913 3/20 0.47
CHRM1 P11229 3/20 0.47
DRD1 P21728 3/20 0.47
ADRA1A P35348 3/20 0.47
DRD3 P35462 3/20 0.47
SLC6A3 Q01959 3/20 0.47
KCNH2 Q12809 3/20 0.47
OPRM1 P35372 3/20 0.47
CYP2D6 P10635 2/20 0.47
HTR1A P08908 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A4 P31645 3/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 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
SCHEMBL9563279 0.90 BCHE (0.42) BCHESLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9563218 0.83 CYP2D6 (0.56) BCHESLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9563381 0.83 KDM4E (0.50) OPRM1CYP2D6KDM4ECYP2C19SIGMAR1
SCHEMBL9563333 0.82 CYP2D6 (0.60) BCHECYP2D6KDM4ECYP2C19NPC1
SCHEMBL9563360 0.82 CHRM2 (0.52) BCHESLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9563238 0.82 CYP2D6 (0.65) BCHESLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9563349 0.81 CYP2D6 (0.64) BCHESLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9563264 0.80 L3MBTL1 (0.53) BCHESLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9563337 0.80 KDM4E (0.57) BCHESLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9563203 0.78 SLC6A2 (0.46) BCHESLC6A2CHRM2ADRA2ACHRM1

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