SCHEMBL3828512

SCHEMBL3828512

COc1cc(C(=O)N(Cc2ccc(N3CCN(C)CC3)nc2)C2CCCC2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.47
GFER P55789 1/20 0.47
HTR2A P28223 1/20 0.45
ZAP70 P43403 1/20 0.45
POLB P06746 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
THRB P10828 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL3823818 0.84 AGER (0.48) HTR2AALDH1A1SLC6A9SLC6A5
SCHEMBL8179598 0.83 HTR2A (0.57) HTR2AALDH1A1L3MBTL1SLC6A9SLC6A5
SCHEMBL3827281 0.82 AGER (0.54) HTR2AL3MBTL1SLC6A9SLC6A5
SCHEMBL3827832 0.81 AGER (0.53) HTR2AL3MBTL1SLC6A9SLC6A5
SCHEMBL4737202 0.81 SLC6A9 (0.43) HSD17B10HTR2APOLBALDH1A1L3MBTL1
SCHEMBL4739773 0.80 SLC6A9 (0.45) HSD17B10HTR2APOLBALDH1A1L3MBTL1
SCHEMBL3066199 0.80 DRD2 (0.43) L3MBTL1SLC6A9SLC6A5
SCHEMBL3860666 0.76 RORC (0.45) HSD17B10HTR2AALDH1A1L3MBTL1
SCHEMBL3824036 0.75 L3MBTL1 (0.55) ALDH1A1L3MBTL1MAPT
SCHEMBL4735222 0.73 SMO (0.40) HSD17B10HTR2APOLBALDH1A1

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-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed