SCHEMBL10658554

SCHEMBL10658554

O=c1c2c(c3cccnc3n1CCc1ccccn1)OCC2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.43
HTR6 P50406 4/20 0.43
HSD17B10 Q99714 1/20 0.40
PLK1 P53350 1/20 0.37
PARG Q86W56 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL10656833 0.94 HRH1 (0.42) HRH1HTR6HSD17B10PLK1PARG
SCHEMBL10653946 0.88 PLK1 (0.47) HSD17B10PLK1
SCHEMBL10658361 0.84 HTR6 (0.42) HRH1HTR6HSD17B10PLK1
SCHEMBL10657603 0.82 HRH1 (0.43) HRH1HTR6HSD17B10PTGDR2
SCHEMBL10659511 0.82 HTR6 (0.48) HRH1HTR6HSD17B10
SCHEMBL10658072 0.81 PLK1 (0.45) HSD17B10PLK1
SCHEMBL10657448 0.81 CNR1 (0.45) PTGDR2
SCHEMBL10654623 0.76 HRH1 (0.42) HRH1HTR6HSD17B10PTGDR2
SCHEMBL10657891 0.76 MAPT (0.47) HSD17B10
SCHEMBL10658778 0.75 GAA (0.41)

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