SCHEMBL9563343

SCHEMBL9563343

CC(COc1ccccc1[N+](=O)[O-])CN1CCC(O)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
KDM4E B2RXH2 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 1/20 0.46
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9563264 0.83 L3MBTL1 (0.53) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL9563345 0.80 KDM4E (0.64) L3MBTL1MAPTKDM4ECYP2D6CYP2C19
SCHEMBL9563286 0.79 CYP2D6 (0.70) L3MBTL1HTTMAPTKDM4ECYP2D6
SCHEMBL9563210 0.79 L3MBTL1 (0.48) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL9563362 0.78 CYP2D6 (0.74) L3MBTL1HTTKDM4ECYP2D6CYP2C19
SCHEMBL9563381 0.77 KDM4E (0.50) L3MBTL1MAPTKDM4ECYP2D6CYP2C19
SCHEMBL9563289 0.77 RAB9A (0.51) L3MBTL1HTTMAPTKDM4ECYP2D6
SCHEMBL20682737 0.77 L3MBTL1 (1.00) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL15709049 0.77 L3MBTL1 (1.00) L3MBTL1HTTMAPTNPY1RNPY2R
SCHEMBL9563282 0.77 CYP2D6 (0.72) L3MBTL1HTTKDM4ECYP2D6CYP2C19

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