SCHEMBL4716362

SCHEMBL4716362

COc1ccccc1Cc1cc2ccc(OC)c(OC)c2nc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADCY10 Q96PN6 1/20 0.41
LTA4H P09960 1/20 0.41
PNP P00491 1/20 0.40
DHFR P00374 2/20 0.40
CNR2 P34972 2/20 0.39
TSHR P16473 2/20 0.39
IDO1 P14902 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CNR1 P21554 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TDO2 P48775 1/20 0.39
MEN1 O00255 1/20 0.39
SLC22A1 O15245 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
SCHEMBL4719204 0.87 MCHR1 (0.39) DHFRTSHRHTTMEN1SLC22A1
SCHEMBL3221311 0.85 MCHR1 (0.49) ADORA2AADORA1ADORA3ADCY10LTA4H
SCHEMBL4718160 0.81 ADCY10 (0.46) ADORA2AADORA1ADORA3ADCY10LTA4H
SCHEMBL4715898 0.81 TAAR1 (0.41) ADORA2AADORA1ADORA3ADCY10LTA4H
SCHEMBL4717995 0.80 PDE10A (0.46) ADORA2AADORA1ADORA3ADCY10LTA4H
SCHEMBL3218795 0.78 TLR8 (0.62) ADORA2AADORA1ADORA3ADCY10LTA4H
SCHEMBL3196286 0.77 TLR8 (0.49) ADORA2AADORA1ADORA3ADCY10LTA4H
SCHEMBL3206489 0.76 AKT1 (0.43) ADORA2AADORA1ADORA3ADCY10LTA4H
SCHEMBL3220325 0.76 PLA2G2A (0.46) ADORA2AADORA1ADORA3ADCY10LTA4H
SCHEMBL3208174 0.76 ALDH1A1 (0.53) ADORA2AADORA1ADORA3ADCY10LTA4H

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-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed