SCHEMBL8330516

SCHEMBL8330516

C=CCCc1cc(C)cc(-n2c(C)ccc2C)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.33
NOS1 P29475 6/20 0.33
NOS3 P29474 4/20 0.33

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
SCHEMBL8328137 0.81 NOS2 (0.51) NOS2NOS1NOS3
SCHEMBL7798225 0.80 PDE10A (0.37) NOS2NOS1
SCHEMBL5672155 0.80 NOS2 (0.36) NOS2NOS1NOS3
SCHEMBL13040665 0.80 NOS2 (0.42) NOS2NOS1NOS3
SCHEMBL8329772 0.80 NOS2 (0.39) NOS2NOS1NOS3
SCHEMBL2834751 0.80 NOS1 (0.44) NOS2NOS1NOS3
SCHEMBL6164054 0.79 NOS2 (0.36) NOS2NOS1NOS3
SCHEMBL2830408 0.78 NOS1 (0.57) NOS2NOS1NOS3
SCHEMBL8326929 0.77 NOS2 (0.48) NOS2NOS1NOS3
SCHEMBL8329387 0.77 NOS2 (0.55) NOS2NOS1NOS3

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
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO disclosed