SCHEMBL10654623

SCHEMBL10654623

O=c1c2c(n(CCc3ccccn3)c3ncccc13)OCCC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.42
HTR6 P50406 4/20 0.42
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
DAO P14920 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
SCHEMBL10657603 0.94 HRH1 (0.43) HRH1HTR6HSD17B10PTGDR2DAO
SCHEMBL10659303 0.89 HTR6 (0.48) HRH1HTR6HSD17B10
SCHEMBL10657699 0.88 PLK1 (0.43) HSD17B10
SCHEMBL10656833 0.83 HRH1 (0.42) HRH1HTR6HSD17B10
SCHEMBL10762799 0.82 HTR6 (0.50) HRH1HTR6HSD17B10
SCHEMBL10659526 0.81 PLK1 (0.44) HSD17B10
SCHEMBL10657054 0.81 ENPP2 (0.43) PTGDR2
SCHEMBL10659533 0.77 MAPT (0.43) HSD17B10
SCHEMBL10658554 0.76 HRH1 (0.43) HRH1HTR6HSD17B10PTGDR2
SCHEMBL10659511 0.76 HTR6 (0.48) HRH1HTR6HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed