SCHEMBL9563236

SCHEMBL9563236

O=[N+]([O-])c1ccc(F)cc1OCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.55
PARP14 Q460N5 1/20 0.51
KDM4E B2RXH2 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.49
FAAH O00519 2/20 0.47
ACHE P22303 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A3 Q01959 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
SCHEMBL9563333 0.90 CYP2D6 (0.60) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563220 0.89 CYP2D6 (0.57) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563348 0.89 ALDH1A1 (0.61) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563238 0.87 CYP2D6 (0.65) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563349 0.86 CYP2D6 (0.64) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563218 0.85 CYP2D6 (0.56) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563337 0.85 KDM4E (0.57) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563189 0.85 BCHE (0.57) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563212 0.85 CYP2D6 (0.55) BCHEPARP14KDM4ECYP2D6CYP2C19
SCHEMBL9563399 0.84 KDM4E (0.55) BCHEPARP14KDM4ECYP2D6CYP2C19

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