SCHEMBL9563259

SCHEMBL9563259

CC(CCOc1ccccc1NS(C)(=O)=O)N1CCC(OC(c2ccccc2)c2cccs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
GFER P55789 1/20 0.35
SCN1A P35498 6/20 0.35
SCN8A Q9UQD0 6/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35

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 0.91 CYP2D6 (0.43) MEN1KMT2AHTR1ASCN1ASCN8A
SCHEMBL9563335 0.87 BCHE (0.43) HTR1ADRD2HTR6SLC6A2CHRM2
SCHEMBL9563250 0.84 SCN8A (0.36) MEN1KMT2AHTR1ASCN1ASCN8A
SCHEMBL9563336 0.84 CYP2D6 (0.39) HTR1ACYP2D6SLC6A2CHRM2ADRA2A
SCHEMBL9563187 0.82 CCR5 (0.38) MEN1KMT2AHTR1ADRD2HTR6
SCHEMBL9563257 0.82 CYP2D6 (0.40) ALDH1A1KMT2ASMN1; SMN2HTR1ACYP2D6
SCHEMBL9563283 0.81 GRM5 (0.36) MEN1ALDH1A1KMT2AHTR1ACYP2D6
SCHEMBL9563278 0.81 GRM5 (0.36) MEN1ALDH1A1KMT2AHTR1ACYP2D6
SCHEMBL9563313 0.81 GRM5 (0.36) MEN1ALDH1A1KMT2AHTR1ACYP2D6
SCHEMBL9563213 0.81 HTR7 (0.40) ALDH1A1HTR1ADRD2HTR7HTR6

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