SCHEMBL6965608

SCHEMBL6965608

NC(=Nc1cccc(CCNCc2ccccc2Br)c1)c1cccs1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.58
NOS1 P29475 4/20 0.58
NOS2 P35228 4/20 0.58

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
SCHEMBL6960880 0.89 NOS3 (0.65) NOS3NOS1NOS2
SCHEMBL6961641 0.89 NOS1 (0.64) NOS3NOS1NOS2
SCHEMBL6968443 0.88 NOS3 (0.58) NOS3NOS1NOS2
SCHEMBL6968066 0.87 NOS3 (0.68) NOS3NOS1NOS2
SCHEMBL9219878 0.85 NOS3 (0.73) NOS3NOS1NOS2
Bromide SCHEMBL27375860 0.84 NOS3 (0.72) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL9220892 0.84 NOS3 (0.72) NOS3NOS1NOS2
Bromide SCHEMBL6963841 0.84 NOS3 (0.72) NOS3NOS1NOS2
SCHEMBL6967594 0.82 NOS3 (0.84) NOS3NOS1NOS2
SCHEMBL6964961 0.82 NOS3 (0.65) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN claimed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN claimed
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
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN 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
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed