SCHEMBL28928497

SCHEMBL28928497

Cc1cc(N)nc(CCc2cc(CCC3COCCN3C)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
▸ NOS2 P35228 13/20 0.79
▸ NOS3 P29474 12/20 0.79

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
SCHEMBL28928495 1.00 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928468 0.88 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928472 0.88 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928461 0.87 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928459 0.87 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928482 0.87 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30054934 0.78 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL31338765 0.77 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL31338770 0.73 NOS1 (0.76) NOS1NOS2NOS3
SCHEMBL31284809 0.73 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4110761-A1 POTENT HUMAN NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS Northwestern University (US) 2023-01-04 — — EP disclosed
CN-115551832-A Potent human neuronal nitric oxide synthase inhibitors 西北大学 2022-12-30 — — CN disclosed
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