SCHEMBL6962230

SCHEMBL6962230

NC(=Nc1cccc(CNCc2ccccc2)c1)c1cccs1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.70
NOS3 P29474 3/20 0.70
NOS2 P35228 3/20 0.70

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 0.90 NOS3 (0.68) NOS1NOS3NOS2
SCHEMBL6961634 0.88 NOS3 (0.61) NOS1NOS3NOS2
SCHEMBL6968123 0.88 NOS1 (0.68) NOS1NOS3NOS2
SCHEMBL7600998 0.88 NOS3 (0.67) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7598814 0.86 NOS3 (0.65) NOS1NOS3NOS2
SCHEMBL9219878 0.85 NOS3 (0.73) NOS1NOS3NOS2
SCHEMBL4317381 0.85 NOS3 (0.60) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL4315621 0.84 NOS3 (0.59) NOS1NOS3NOS2
Bromide SCHEMBL6963841 0.84 NOS3 (0.72) NOS1NOS3NOS2
Bromide SCHEMBL27375860 0.84 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 11 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
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US 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