SCHEMBL9563370

SCHEMBL9563370

c1ccc(C(OC2CCNCC2)c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
SLC6A3 Q01959 4/20 0.50
CHRM2 P08172 2/20 0.50
ADRA2A P08913 2/20 0.50
CHRM1 P11229 2/20 0.50
DRD1 P21728 2/20 0.50
ADRA1A P35348 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
KCNH2 Q12809 2/20 0.50
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MAPK1 P28482 1/20 0.49
SLC6A4 P31645 4/20 0.45
HRH1 P35367 3/20 0.45
HTR6 P50406 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL1802062 0.90 DRD3 (0.59) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL2476701 0.89 MAPK1 (0.60) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL9533194 0.87 FAAH (0.52) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL27978433 0.85 SLC6A4 (0.48) SLC6A2SLC6A3DRD3CYP2D6SLC6A4
SCHEMBL12064698 0.83 DRD3 (0.51) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL12064699 0.83 DRD3 (0.51) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL12064952 0.83 DRD3 (0.51) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL9352969 0.81 DRD3 (0.54) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL14814326 0.81 SLC6A2 (0.51) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL8537416 0.81 DRD3 (0.59) SLC6A2SLC6A3CHRM2ADRA2ACHRM1

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