SCHEMBL3346414

SCHEMBL3346414

OC1CN(C(I)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KCNA3 P22001 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FUCA1 P04066 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
SCN1A P35498 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
Hydrochloric Acid SCHEMBL11044496 0.98 LMNA (0.38) LMNAKCNA3L3MBTL1ATMCYP2B6
SCHEMBL5744686 0.79 LMNA (0.37) LMNAKCNA3L3MBTL1ATMCYP2B6
SCHEMBL4706897 0.77 KCNN4 (0.38) LMNAL3MBTL1ATMCYP2B6CHRM3
SCHEMBL4594764 0.76 GRIN2B (0.38) LMNAL3MBTL1ATMCYP2B6MEN1
SCHEMBL11006008 0.74 CHRM3 (0.48) CHRM3HRH1
SCHEMBL11111197 0.73 ALDH1A1 (0.41) ALDH1A1
Hydrochloric Acid SCHEMBL6529786 0.72 BPTF (0.35) LMNAMEN1CYP2D6HRH1SCN1A
SCHEMBL10369267 0.72 MAPT (0.35) LMNAKCNA3L3MBTL1ATMCYP2B6
SCHEMBL31214046 0.71 CYP2B6 (0.59) LMNAKCNA3CYP2B6CYP2C9CYP2C19
SCHEMBL6025470 0.69 CYP2B6 (0.34) CYP2B6ALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed