SCHEMBL9037376

SCHEMBL9037376

NC(=Nc1ccc(CCNCCc2ccccc2)cc1)c1cccs1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.78
NOS3 P29474 3/20 0.78
NOS2 P35228 2/20 0.78

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
SCHEMBL9037979 0.94 NOS1 (0.78) NOS1NOS3NOS2
SCHEMBL6963562 0.94 NOS1 (0.78) NOS1NOS3NOS2
SCHEMBL9039073 0.90 NOS1 (0.71) NOS1NOS3NOS2
SCHEMBL9219878 0.89 NOS3 (0.73) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL9280170 0.89 NOS1 (0.70) NOS1NOS3NOS2
Bromide SCHEMBL6962474 0.89 NOS1 (0.70) NOS1NOS3NOS2
SCHEMBL9038303 0.88 NOS1 (0.69) NOS1NOS3NOS2
Bromide SCHEMBL6963841 0.88 NOS3 (0.72) NOS1NOS3NOS2
SCHEMBL9039168 0.88 NOS1 (0.69) NOS1NOS3NOS2
Bromide SCHEMBL27375860 0.88 NOS3 (0.72) 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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed