SCHEMBL9337293

SCHEMBL9337293

CCCCc1ccc(CN(CC)CC)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
DAO P14920 1/20 0.39
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 4/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9340882 0.82 GPR84 (0.39) GPR84HIF1AEPAS1DAOPARP1
SCHEMBL9337584 0.80 MAPT (0.37) GPR84HIF1AEPAS1DAOPARP1
SCHEMBL1256978 0.79 GPR84 (0.44) GPR84HIF1AEPAS1DAOPARP1
SCHEMBL9341196 0.79 GPR84 (0.44) GPR84HIF1AEPAS1DAOPARP1
SCHEMBL9340937 0.79 GPR84 (0.44) GPR84HIF1AEPAS1DAOPARP1
SCHEMBL9337173 0.79 MAPT (0.36) GPR84HIF1AEPAS1DAOPARP1
SCHEMBL9230501 0.77 KDM4E (0.41) GPR84HIF1AEPAS1DAOPARP1
SCHEMBL9340967 0.76 KDM4E (0.44) GPR84HIF1AEPAS1DAOTSHR
SCHEMBL9341177 0.76 MAPT (0.35) GPR84HIF1AEPAS1DAOPARP1
SCHEMBL9337108 0.76 ALDH1A1 (0.47) GPR84HIF1AEPAS1DAOPARP1

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
US-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed