SCHEMBL27151128

SCHEMBL27151128

O=C(O)NCc1cc2cccnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.49
RIPK1 Q13546 9/20 0.46
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL18361821 0.87 RIPK1 (0.48) DAORIPK1DRD2DRD4DRD3
SCHEMBL29587495 0.81 DAO (0.51) DAORIPK1DRD2DRD4DRD3
SCHEMBL30759266 0.80 KDM4A (0.48) DAORIPK1
SCHEMBL1100944 0.79 DAO (0.49) DAORIPK1DRD2DRD4DRD3
SCHEMBL27144888 0.78 DAO (0.48) DAOPRMT5WDR77HRH4
SCHEMBL13543890 0.77 RIPK1 (0.58) DAORIPK1DRD2DRD4DRD3
SCHEMBL29588892 0.77 RIPK1 (0.52) DAORIPK1DRD2DRD4DRD3
SCHEMBL3560619 0.76 IDO1 (0.58) DAO
SCHEMBL27144308 0.76 NR3C1 (0.38)
SCHEMBL5264265 0.75 RIPK1 (0.46) DAORIPK1DRD2DRD4DRD3

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-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed