SCHEMBL28928451

SCHEMBL28928451

Cc1cc(N)nc(CCc2cc(F)cc(C#CCN(C)C)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 10/20 1.00
▸ NOS2 P35228 10/20 0.63
▸ NOS3 P29474 5/20 0.63

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
SCHEMBL30057193 1.00 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL28928456 0.86 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30054893 0.86 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30054877 0.82 NOS1 (0.69) NOS1NOS2NOS3
SCHEMBL19379375 0.82 NOS1 (0.69) NOS1NOS2NOS3
SCHEMBL28928474 0.81 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL30055641 0.81 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL19379174 0.77 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL17731885 0.74 NOS1 (0.64) NOS1NOS2NOS3
SCHEMBL17708605 0.74 NOS2 (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
Send feedback