SCHEMBL9563176

SCHEMBL9563176

O=[N+]([O-])c1ccccc1OCC=CCN1CCC(O)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 4/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9563281 1.00 RAB9A (0.51) RAB9APOLBKDM4ECYP2D6CYP2C19
SCHEMBL9563172 1.00 RAB9A (0.51) RAB9APOLBKDM4ECYP2D6CYP2C19
SCHEMBL9563387 0.82 BCHE (0.45) RAB9APOLBKDM4ECYP2D6CYP2C19
SCHEMBL9563341 0.82 BCHE (0.45) RAB9APOLBKDM4ECYP2D6CYP2C19
SCHEMBL9563344 0.82 BCHE (0.45) RAB9APOLBKDM4ECYP2D6CYP2C19
SCHEMBL9563345 0.81 KDM4E (0.64) RAB9AKDM4ECYP2D6CYP2C19L3MBTL1
SCHEMBL9563286 0.80 CYP2D6 (0.70) RAB9AKDM4ECYP2D6CYP2C19L3MBTL1
SCHEMBL9563362 0.79 CYP2D6 (0.74) RAB9AKDM4ECYP2D6CYP2C19L3MBTL1
SCHEMBL9563282 0.78 CYP2D6 (0.72) RAB9AKDM4ECYP2D6CYP2C19L3MBTL1
SCHEMBL9563382 0.77 RAB9A (0.39) RAB9APOLBKDM4ECYP2D6CYP2C19

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