SCHEMBL28928474

SCHEMBL28928474

Cc1cc(N)nc(CCc2cc(C#CCN(C)C)cc(F)c2F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 19/20 1.00
▸ NOS3 P29474 13/20 0.76
▸ NOS2 P35228 13/20 0.76

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
SCHEMBL30055641 1.00 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL28928466 0.86 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30055662 0.82 NOS1 (0.70) NOS1NOS3NOS2
SCHEMBL28928451 0.81 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30057193 0.81 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL31284809 0.77 NOS1 (1.00) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL31338768 0.76 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL28928465 0.75 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30054941 0.75 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL31338749 0.73 NOS1 (1.00) NOS1NOS3NOS2

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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