SCHEMBL9563187

SCHEMBL9563187

CC(CCN1CCC(OC(c2ccccc2)c2cccs2)CC1)Oc1ccccc1NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
CHRM3 P20309 3/20 0.38
ADRB2 P07550 2/20 0.38
BCHE P06276 4/20 0.37
SLC6A2 P23975 3/20 0.37
CYP2D6 P10635 2/20 0.37
CHRM2 P08172 2/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
CHRM1 P11229 2/20 0.37
DRD1 P21728 2/20 0.37
ADRA1A P35348 2/20 0.37
DRD3 P35462 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
OPRM1 P35372 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9563203 0.91 SLC6A2 (0.46) CHRM3ADRB2BCHESLC6A2CYP2D6
SCHEMBL9563335 0.87 BCHE (0.43) CHRM3ADRB2BCHESLC6A2CHRM2
SCHEMBL9563318 0.84 HTR1A (0.41) CCR5CHRM3BCHESLC6A2CYP2D6
SCHEMBL9563259 0.82 MEN1 (0.35) SLC6A2CYP2D6CHRM2HTR1AADRA2A
SCHEMBL9563279 0.82 BCHE (0.42) CCR5CHRM3BCHESLC6A2CYP2D6
SCHEMBL9563283 0.81 GRM5 (0.36) CHRM3ADRB2SLC6A2CYP2D6CHRM2
SCHEMBL9563278 0.81 GRM5 (0.36) CHRM3ADRB2SLC6A2CYP2D6CHRM2
SCHEMBL9563313 0.81 GRM5 (0.36) CHRM3ADRB2SLC6A2CYP2D6CHRM2
SCHEMBL9563213 0.81 HTR7 (0.40) CHRM3ADRB2BCHEHTR1ADRD2
SCHEMBL9563260 0.79 CHRM3 (0.39) CHRM3ADRB2BCHEHTR1ADRD2

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