SCHEMBL24640482

SCHEMBL24640482

COc1ccc(Cn2ncc(N[C@@H](C)CO)c(C(C)=O)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 14/20 0.48
▸ MCHR1 Q99705 1/20 0.45
▸ PKM P14618 1/20 0.39
▸ PKLR P30613 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ CACNA1H O95180 1/20 0.38

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
SCHEMBL24640480 1.00 NPBWR1 (0.48) NPBWR1MCHR1PKMPKLRBRD4
SCHEMBL24640499 1.00 NPBWR1 (0.48) NPBWR1MCHR1PKMPKLRBRD4
SCHEMBL24640895 0.86 NPBWR1 (0.54) NPBWR1MCHR1PKMPKLRBRD4
SCHEMBL24640401 0.85 NPBWR1 (0.43) NPBWR1MCHR1PKMPKLRBRD4
SCHEMBL21521227 0.82 NPBWR1 (0.51) NPBWR1MCHR1PKMPKLRBRD4
SCHEMBL21521225 0.82 NPBWR1 (0.51) NPBWR1MCHR1PKMPKLRBRD4
SCHEMBL24640479 0.82 NPBWR1 (0.51) NPBWR1MCHR1PKMPKLRBRD4
SCHEMBL24640501 0.79 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL29731534 0.79 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL29102671 0.79 NPBWR1 (0.68) NPBWR1MCHR1PKM

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
WO-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 — — WO disclosed
WO-2022156708-A1 PARP7 ENZYME INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-07-28 — — WO disclosed
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