SCHEMBL31284809

SCHEMBL31284809

Cc1cc(N)nc(CCc2cc(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
▸ NOS2 P35228 16/20 1.00
▸ NOS3 P29474 13/20 1.00

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
Hydrochloric Acid SCHEMBL31338768 0.99 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30054941 0.93 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928465 0.93 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL31338749 0.88 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL31338774 0.85 NOS1 (1.00) NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL31338750 0.84 NOS1 (1.00) NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL31338755 0.84 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL31338770 0.83 NOS1 (0.76) NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL31338763 0.82 NOS1 (1.00) NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL31338757 0.82 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
WO-2025019870-A1 USE OF NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS IN ALZHEIMER'S DISEASE NORTHWESTERN UNIVERSITY (US) 2025-01-23 — — WO disclosed
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