SCHEMBL28928467

SCHEMBL28928467

Cc1cc(N)nc(CCc2cc(F)cc(CCC3CCCN3C)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 13/20 1.00
▸ NOS2 P35228 8/20 0.75
▸ NOS3 P29474 5/20 0.75

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
SCHEMBL30063512 1.00 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928463 1.00 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30054898 1.00 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30062810 1.00 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928461 0.86 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928459 0.86 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928482 0.86 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30055650 0.82 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928472 0.79 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928468 0.79 NOS1 (1.00) NOS1NOS2NOS3

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
CN-115551832-A Potent human neuronal nitric oxide synthase inhibitors 西北大学 2022-12-30 — — CN disclosed
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