SCHEMBL7108497

SCHEMBL7108497

c1ccc([C@]23CCCC[C@H]2O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
CHRM2 P08172 7/20 0.40
CHRM4 P08173 7/20 0.40
CHRM5 P08912 7/20 0.40
CHRM1 P11229 7/20 0.40
CHRM3 P20309 7/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL2220242 1.00 GRIN1 (0.43) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL11369540 0.94 MAPK1 (0.39) GRIN1GRIN2A
SCHEMBL6347170 0.90 SLC6A2 (0.42) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL6351533 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL13221438 0.81 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL38663972 0.80 SLC6A3 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL22261434 0.79 NPC1 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15823722 0.79 CHRNA1 (0.35) GRIN1GRIN2ASLC6A2SLC6A4SLC6A3
SCHEMBL27479696 0.78 GRIN1 (0.33) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL6848854 0.76 SLC6A4 (0.52) CHRM2CHRM1SLC6A2SLC6A4SLC6A3

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
EP-1021426-B1 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2003-09-17 EP disclosed
US-6348608-B1 ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-02-19 US disclosed
EP-1021426-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-07-26 EP disclosed
EP-1021426-A4 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2000-07-26 EP disclosed
WO-1998015544-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-04-16 WO disclosed