SCHEMBL6957608

SCHEMBL6957608

NC(=Nc1cccc(CN2CCc3ccccc3C2)c1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.58
NOS3 P29474 5/20 0.58
NOS2 P35228 5/20 0.58
QRFPR Q96P65 1/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CASP1 P29466 1/20 0.47

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
Bromide SCHEMBL6968364 0.99 NOS1 (0.58) NOS1NOS3NOS2QRFPRKDM4E
Hydrochloric Acid SCHEMBL9213897 0.99 NOS3 (0.57) NOS1NOS3NOS2QRFPR
SCHEMBL8191923 0.88 NOS3 (0.68) NOS1NOS3NOS2
SCHEMBL5380798 0.81 NOS3 (0.62) NOS1NOS3NOS2QRFPR
SCHEMBL5380791 0.81 NOS3 (0.62) NOS1NOS3NOS2QRFPR
SCHEMBL7599402 0.80 NOS3 (0.61) NOS1NOS3NOS2QRFPR
Hydrochloric Acid SCHEMBL7602393 0.79 NOS3 (0.60) NOS1NOS3NOS2QRFPR
SCHEMBL6599778 0.78 NOS1 (0.59) NOS1NOS3NOS2QRFPRKDM4E
SCHEMBL6599781 0.78 NOS1 (0.59) NOS1NOS3NOS2QRFPRKDM4E
SCHEMBL7826140 0.78 NOS3 (0.76) 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
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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed