SCHEMBL10657448

SCHEMBL10657448

O=c1c2c(c3cccnc3n1Cc1ccccc1)OCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
ENPP2 Q13822 4/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
MAPT P10636 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TP53 P04637 1/20 0.42
KAT2B Q92831 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
THRB P10828 1/20 0.41
CLPP Q16740 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
SCHEMBL10656072 0.93 CNR1 (0.46) CNR1CNR2MEN1KMT2APTGDR2
SCHEMBL10653946 0.88 PLK1 (0.47) MEN1KMT2AENPP2MAPTHDAC1
SCHEMBL10657891 0.83 MAPT (0.47) MEN1KMT2AMAPTTP53THRB
SCHEMBL10657206 0.82 CLPP (0.42) PDE4APDE4BPDE4CPDE4DKAT2B
SCHEMBL10658072 0.82 PLK1 (0.45) MEN1KMT2AENPP2MAPTHDAC1
SCHEMBL10659676 0.81 P2RX4 (0.51) MEN1KMT2AMAPT
SCHEMBL10659571 0.81 PTGDR2 (0.45) CNR1CNR2MEN1KMT2APTGDR2
SCHEMBL10658554 0.81 HRH1 (0.43) PTGDR2
SCHEMBL9630002 0.79 FEN1 (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10657751 0.78 CNR1 (0.46) CNR1CNR2MEN1KMT2APTGDR2

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