SCHEMBL7962886

SCHEMBL7962886

[CH2]CCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.57
SCN2A Q99250 3/20 0.57
SCN3A Q9NY46 3/20 0.57
SLC6A4 P31645 3/20 0.57
SLC6A3 Q01959 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
CHRM2 P08172 2/20 0.57
ADRA2A P08913 2/20 0.57
CHRM1 P11229 2/20 0.57
SLC6A2 P23975 2/20 0.57
OPRM1 P35372 2/20 0.57
DRD3 P35462 2/20 0.57
CYP1A2 P05177 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
ADRA2B P18089 1/20 0.57
CHRM3 P20309 1/20 0.57

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
SCHEMBL7949004 0.87 SCN1A (0.53) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL4667564 0.85 SCN1A (0.65) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL7948784 0.85 SLC6A2 (0.52) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL7962993 0.84 SLC6A2 (0.50) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL7958769 0.84 SLC6A2 (0.50) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL4669231 0.81 SLC6A2 (0.61) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL4670218 0.81 SCN1A (0.61) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL1505811 0.81 SCN1A (0.50) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL9871371 0.78 TAAR1 (0.43) SCN1ASCN2ASCN3ASLC6A4SLC6A3
SCHEMBL3336564 0.77 SCN1A (0.57) SCN1ASCN2ASCN3ASLC6A4SLC6A3

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 9 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-0460883-B1 Process for beta-hydroxy-alpha-amino acids UNIV NOTRE DAME DU LAC (US) 1997-01-15 EP disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed
US-5266468-A Process for preparing β-hydroxy-α amino acids UNIVERSITY OF NOTRE DAME DU LAC (US) 1993-11-30 US disclosed
EP-0460883-A2 Process for beta-hydroxy-alpha-amino acids THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-12-11 EP disclosed
US-5053521-A 3-amino butyric acid uptake inhibitors, antiepileptic agents WARNER-LAMBERT COMPANY (US) 1991-10-01 US disclosed