SCHEMBL9563205

SCHEMBL9563205

Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.58
BCHE P06276 10/20 0.56
HPGDS O60760 1/20 0.53
CHRM2 P08172 2/20 0.52
HTR1A P08908 2/20 0.52
ADRA2A P08913 2/20 0.52
CHRM1 P11229 2/20 0.52
DRD1 P21728 2/20 0.52
SLC6A2 P23975 2/20 0.52
ADRA1A P35348 2/20 0.52
DRD3 P35462 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KCNH2 Q12809 2/20 0.52
CYP2D6 P10635 1/20 0.52
OPRM1 P35372 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MAPK1 P28482 1/20 0.51
NPC1 O15118 1/20 0.49
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49

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
SCHEMBL9563358 0.96 BCHE (0.61) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL9563228 0.95 BCHE (0.60) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL9563194 0.94 DRD1 (0.53) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL9563292 0.94 PARP14 (0.52) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL9563357 0.94 PARP14 (0.55) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL9563253 0.94 BCHE (0.59) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL9563310 0.92 BCHE (0.57) PARP14BCHESLC6A2SLC6A3KCNH2
SCHEMBL9563306 0.92 PARP14 (0.51) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL9563295 0.91 PARP14 (0.50) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL9563307 0.91 PARP14 (0.52) PARP14BCHEHPGDSCHRM2HTR1A

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