SCHEMBL9563231

SCHEMBL9563231

CC(COc1ccccc1NS(C)(=O)=O)CN1CCC(OC(c2ccsc2)c2ccsc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRMT5 O14744 2/20 0.36
HSP90AB1 P08238 1/20 0.36
ADRB2 P07550 5/20 0.35
ADRB3 P13945 4/20 0.35
ADRB1 P08588 3/20 0.35
WDR77 Q9BQA1 1/20 0.34
CHRM3 P20309 2/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
CCR1 P32246 1/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
GRM5 P41594 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM3 Q14832 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL9563232 0.89 SLC6A2 (0.43) DRD4TSHRL3MBTL1PRMT5ADRB2
SCHEMBL9563304 0.86 BCHE (0.41) DRD4ADRB2ADRB3ADRB1CHRM3
SCHEMBL9565887 0.84 BCHE (0.45) DRD4TSHRADRB2ADRB3ADRB1
SCHEMBL9563258 0.84 PRMT5 (0.34) TSHRPRMT5ADRB2ADRB3CHRM3
SCHEMBL9563249 0.84 PRMT5 (0.34) TSHRPRMT5ADRB2ADRB3CHRM3
SCHEMBL9563351 0.84 PRMT5 (0.34) TSHRPRMT5ADRB2ADRB3CHRM3
SCHEMBL9563250 0.83 SCN8A (0.36) TSHRPRMT5ADRB3HTR1ASIGMAR1
SCHEMBL9563190 0.83 TSHR (0.41) DRD4TSHRL3MBTL1HTR1AGRM5
SCHEMBL9563210 0.81 L3MBTL1 (0.48) DRD4TSHRL3MBTL1HRH1CYP2D6
SCHEMBL9563260 0.79 CHRM3 (0.39) ADRB2CHRM3HTR1AHTR7

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