SCHEMBL29731363

SCHEMBL29731363

C=C(OCC)c1c(OC)cnn(Cc2ccc(OC)cc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 13/20 0.52
▸ MCHR1 Q99705 1/20 0.51
▸ UCHL1 P09936 1/20 0.47
▸ PDE1B Q01064 4/20 0.46
▸ PDE1A P54750 3/20 0.45
▸ PDE1C Q14123 3/20 0.45
▸ PKM P14618 1/20 0.44
▸ PKLR P30613 1/20 0.44

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
SCHEMBL29731534 0.82 NPBWR1 (0.57) NPBWR1MCHR1UCHL1PDE1BPDE1A
SCHEMBL27077651 0.77 NPBWR1 (0.49) NPBWR1MCHR1UCHL1PDE1BPDE1A
SCHEMBL14844510 0.76 NPBWR1 (0.67) NPBWR1MCHR1PKMPKLR
SCHEMBL21521858 0.75 NPBWR1 (0.61) NPBWR1MCHR1PDE1BPDE1APDE1C
SCHEMBL26915060 0.75 NPBWR1 (0.61) NPBWR1MCHR1PDE1BPDE1APDE1C
SCHEMBL24640501 0.75 NPBWR1 (0.57) NPBWR1MCHR1UCHL1PDE1BPDE1A
SCHEMBL4681881 0.75 NPBWR1 (0.57) NPBWR1MCHR1UCHL1PDE1BPDE1A
SCHEMBL25756143 0.74 NPBWR1 (0.63) NPBWR1MCHR1UCHL1PDE1BPDE1A
SCHEMBL21521851 0.72 NPBWR1 (0.61) NPBWR1MCHR1PDE1BPDE1APDE1C
SCHEMBL26915070 0.72 NPBWR1 (0.57) NPBWR1MCHR1PDE1BPDE1APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022156708-A1 PARP7 ENZYME INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-07-28 — — WO disclosed
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