SCHEMBL23412751

SCHEMBL23412751

Nc1ccc2cccc(CCCOc3cccc4ccc(N)nc34)c2n1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.69
NCF1 P14598 4/20 0.68
PLAU P00749 1/20 0.55

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
SCHEMBL5884656 0.88 MCHR1 (0.82) MCHR1NCF1
SCHEMBL5884109 0.86 MCHR1 (0.85) MCHR1NCF1
SCHEMBL5884059 0.83 NCF1 (0.65) MCHR1NCF1PLAU
SCHEMBL5884456 0.82 MCHR1 (1.00) MCHR1NCF1
SCHEMBL5884249 0.82 MCHR1 (0.73) MCHR1NCF1
SCHEMBL5884449 0.81 NCF1 (1.00) MCHR1NCF1
SCHEMBL23412162 0.81 NCF1 (1.00) MCHR1NCF1
SCHEMBL23412964 0.81 NCF1 (1.00) MCHR1NCF1
SCHEMBL7261226 0.81 MCHR1 (0.78) MCHR1NCF1
SCHEMBL5883752 0.81 MCHR1 (1.00) MCHR1NCF1

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-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO claimed
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO disclosed