SCHEMBL7958769

SCHEMBL7958769

[CH2]CCCCCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
SCN1A P35498 3/20 0.50
SCN2A Q99250 3/20 0.50
SCN3A Q9NY46 3/20 0.50
LMNA P02545 2/20 0.50
KCNH2 Q12809 2/20 0.50
HRH4 Q9H3N8 2/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
THPO P40225 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50

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
SCHEMBL7962993 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL7948784 0.98 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL7949004 0.92 SCN1A (0.53) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL4670218 0.88 SCN1A (0.61) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL7962886 0.84 SCN1A (0.57) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL4669231 0.83 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL21861456 0.81 SCN1A (0.50) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL21861450 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL28676094 0.81 KCNH2 (0.55) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL28352196 0.81 SCN1A (0.50) SLC6A2SLC6A4SLC6A3SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed