SCHEMBL9563194

SCHEMBL9563194

Nc1ccccc1OCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
MAPK1 P28482 1/20 0.52
BCHE P06276 9/20 0.52
PARP14 Q460N5 1/20 0.51
HPGDS O60760 1/20 0.48
LTA4H P09960 1/20 0.46
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
SCHEMBL9563205 0.94 PARP14 (0.58) DRD1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9563358 0.93 BCHE (0.61) DRD1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9563228 0.92 BCHE (0.60) DRD1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9563253 0.88 BCHE (0.59) DRD1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9563292 0.88 PARP14 (0.52) DRD1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9563357 0.88 PARP14 (0.55) DRD1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9563310 0.86 BCHE (0.57) CYP2D6SLC6A2SLC6A3KCNH2MAPK1
SCHEMBL9563306 0.86 PARP14 (0.51) DRD1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9563295 0.85 PARP14 (0.50) DRD1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL9563311 0.85 PARP14 (0.50) DRD1CHRM2HTR1AADRA2ACYP2D6

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