SCHEMBL9563291

SCHEMBL9563291

CC(CCOc1ccccc1NS(C)(=O)=O)N1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
SLC6A2 P23975 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 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
SCHEMBL9563259 0.91 MEN1 (0.35) CYP2D6SLC6A2CHRM2HTR1AADRA2A
SCHEMBL9563250 0.89 SCN8A (0.36) CYP2D6SLC6A2CHRM2HTR1AADRA2A
SCHEMBL9563225 0.85 HTR1A (0.48) CYP2D6SLC6A2CHRM2HTR1AADRA2A
SCHEMBL9563263 0.84 BCHE (0.52) CYP2D6SLC6A2CHRM2HTR1AADRA2A
SCHEMBL9563179 0.83 BCHE (0.56) CYP2D6SLC6A2CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL9563254 0.83 BCHE (0.51) CYP2D6SLC6A2CHRM2HTR1AADRA2A
SCHEMBL9563339 0.83 BCHE (0.55) CYP2D6SLC6A2CHRM2HTR1AADRA2A
SCHEMBL9563232 0.81 SLC6A2 (0.43) CYP2D6SLC6A2CHRM2HTR1AADRA2A
SCHEMBL9563312 0.81 CYP2D6 (0.49) CYP2D6SLC6A2CHRM2HTR1AADRA2A
SCHEMBL9563184 0.80 BCHE (0.48) CYP2D6SLC6A2CHRM2HTR1AADRA2A

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