SCHEMBL9563240

SCHEMBL9563240

Nc1ccccc1OC/C=C\CN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CHRM2 P08172 2/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
SLC6A2 P23975 2/20 0.46
ADRA1A P35348 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
OPRM1 P35372 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPK1 P28482 1/20 0.45
BCHE P06276 4/20 0.41
GRM5 P41594 1/20 0.41
GRM7 Q14831 1/20 0.41
GRM3 Q14832 1/20 0.41
HPGDS O60760 1/20 0.41
PARP14 Q460N5 1/20 0.39

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
SCHEMBL9563248 1.00 CYP2D6 (0.46) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563243 1.00 CYP2D6 (0.46) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563271 0.89 SLC6A3 (0.37) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563217 0.89 SLC6A3 (0.37) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563222 0.89 SLC6A3 (0.37) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563196 0.88 SLC6A3 (0.34) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563201 0.88 SLC6A3 (0.34) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563246 0.88 SLC6A3 (0.34) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563344 0.82 BCHE (0.45) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9563341 0.82 BCHE (0.45) CYP2D6CHRM2HTR1AADRA2ACHRM1

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