SCHEMBL28928498

SCHEMBL28928498

Cc1cc(N)nc(CCc2cc(F)cc(CCCN(C)C)c2F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 16/20 1.00
▸ NOS3 P29474 11/20 0.84
▸ NOS2 P35228 11/20 0.84

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
SCHEMBL30055622 1.00 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30055611 0.91 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL28928480 0.91 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL28928465 0.84 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30054941 0.84 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30055326 0.84 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL28928487 0.84 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL19379174 0.84 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30054507 0.81 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL28928473 0.81 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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