SCHEMBL9563250

SCHEMBL9563250

CC(CCOc1ccccc1NS(C)(=O)=O)N1CCC(OC(c2ccsc2)c2ccsc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 9/20 0.36
SCN1A P35498 6/20 0.36
ADRB3 P13945 1/20 0.34
PRMT5 O14744 1/20 0.33
HTR1A P08908 2/20 0.33
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL9563291 0.89 CYP2D6 (0.43) SCN8ASCN1AHTR1ACYP2D6SLC6A2
SCHEMBL9563304 0.86 BCHE (0.41) ADRB3HTR1ASLC6A2LMNACHRM2
SCHEMBL9563259 0.84 MEN1 (0.35) SCN8ASCN1AHTR1ACYP2D6SLC6A2
SCHEMBL9565887 0.84 BCHE (0.45) ADRB3HTR1ACYP2D6SLC6A2MEN1
SCHEMBL9563231 0.83 DRD4 (0.37) ADRB3PRMT5HTR1ACYP2D6SLC6A2
SCHEMBL9563322 0.83 HTR1A (0.36) SCN8ASCN1AHTR1ACYP2D6SLC6A2
SCHEMBL9563216 0.81 NPC1 (0.40) CYP2D6MEN1LMNAKMT2A
SCHEMBL9563351 0.80 PRMT5 (0.34) ADRB3PRMT5HTR1ACYP2D6SLC6A2
SCHEMBL9563249 0.80 PRMT5 (0.34) ADRB3PRMT5HTR1ACYP2D6SLC6A2
SCHEMBL9563258 0.80 PRMT5 (0.34) ADRB3PRMT5HTR1ACYP2D6SLC6A2

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