SCHEMBL9563278

SCHEMBL9563278

CS(=O)(=O)Nc1ccccc1OC/C=C\CN1CCC(OC(c2ccccc2)c2cccs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
GRM7 Q14831 1/20 0.36
GRM3 Q14832 1/20 0.36
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 2/20 0.34
ADRB2 P07550 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9563283 1.00 GRM5 (0.36) GRM5GRM7GRM3SLC6A3SLC6A4
SCHEMBL9563313 1.00 GRM5 (0.36) GRM5GRM7GRM3SLC6A3SLC6A4
SCHEMBL9563195 0.91 GRM5 (0.42) GRM5GRM7GRM3SLC6A3SLC6A4
SCHEMBL9563380 0.91 GRM5 (0.42) GRM5GRM7GRM3SLC6A3SLC6A4
SCHEMBL9563193 0.91 GRM5 (0.42) GRM5GRM7GRM3SLC6A3SLC6A4
SCHEMBL9563335 0.86 BCHE (0.43) SLC6A3SLC6A4SLC6A2ADRB2CHRM3
SCHEMBL9563249 0.84 PRMT5 (0.34) GRM5GRM7GRM3SLC6A3CYP2D6
SCHEMBL9563351 0.84 PRMT5 (0.34) GRM5GRM7GRM3SLC6A3CYP2D6
SCHEMBL9563258 0.84 PRMT5 (0.34) GRM5GRM7GRM3SLC6A3CYP2D6
SCHEMBL9563271 0.83 SLC6A3 (0.37) GRM5GRM7GRM3SLC6A3SLC6A4

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