SCHEMBL9563330

SCHEMBL9563330

O=[N+]([O-])c1ccccc1OCC=CCN1CCC(OC(c2ccccc2)c2cccs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9565888 1.00 BCHE (0.38) BCHECYP2D6CYP2C19KDM4ERAB9A
SCHEMBL9563326 1.00 BCHE (0.38) BCHECYP2D6CYP2C19KDM4ERAB9A
SCHEMBL9563344 0.90 BCHE (0.45) BCHECYP2D6CYP2C19KDM4ERAB9A
SCHEMBL9563341 0.90 BCHE (0.45) BCHECYP2D6CYP2C19KDM4ERAB9A
SCHEMBL9563387 0.90 BCHE (0.45) BCHECYP2D6CYP2C19KDM4ERAB9A
SCHEMBL9563207 0.85 CYP2D6 (0.52) BCHECYP2D6CYP2C19KDM4ERAB9A
SCHEMBL9563271 0.85 SLC6A3 (0.37) BCHECYP2D6LMNASLC6A4SLC6A3
SCHEMBL9563222 0.85 SLC6A3 (0.37) BCHECYP2D6LMNASLC6A4SLC6A3
SCHEMBL9563217 0.85 SLC6A3 (0.37) BCHECYP2D6LMNASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9563227 0.84 CYP2D6 (0.52) BCHECYP2D6CYP2C19KDM4ECYP1A2

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