SCHEMBL9563399

SCHEMBL9563399

Cc1cccc(C(OC2CCN(CCCOc3ccccc3[N+](=O)[O-])CC2)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.52
BCHE P06276 6/20 0.51
PARP14 Q460N5 1/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL9563337 0.92 KDM4E (0.57) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563333 0.92 CYP2D6 (0.60) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563348 0.90 ALDH1A1 (0.61) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563252 0.90 ALDH1A1 (0.59) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563238 0.89 CYP2D6 (0.65) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563349 0.88 CYP2D6 (0.64) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563218 0.87 CYP2D6 (0.56) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563379 0.86 CYP2D6 (0.55) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563284 0.86 CYP2D6 (0.55) KDM4ECYP2D6CYP2C19CYP1A2BCHE
SCHEMBL9563189 0.86 BCHE (0.57) KDM4ECYP2D6CYP2C19CYP1A2BCHE

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