SCHEMBL6961634

SCHEMBL6961634

NC(=Nc1cccc(CCCNCc2ccccc2)c1)c1cccs1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.61
NOS1 P29475 4/20 0.61
NOS2 P35228 4/20 0.61

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
SCHEMBL6968066 0.93 NOS3 (0.68) NOS3NOS1NOS2
SCHEMBL6954660 0.91 NOS3 (0.68) NOS3NOS1NOS2
SCHEMBL9037787 0.91 NOS3 (0.68) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL9219334 0.90 NOS3 (0.67) NOS3NOS1NOS2
Bromide SCHEMBL6960910 0.90 NOS3 (0.67) NOS3NOS1NOS2
SCHEMBL6962230 0.88 NOS1 (0.70) NOS3NOS1NOS2
SCHEMBL9037447 0.88 NOS3 (0.70) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL9222554 0.87 NOS3 (0.69) NOS3NOS1NOS2
Bromide SCHEMBL6968556 0.87 NOS3 (0.69) NOS3NOS1NOS2
SCHEMBL9219878 0.86 NOS3 (0.73) NOS3NOS1NOS2

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 6 patents. 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
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed