SCHEMBL6969350

SCHEMBL6969350

NC(=Nc1ccc(CCNC(=O)Cc2ccccc2)cc1)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.63
NOS3 P29474 3/20 0.59
NOS2 P35228 2/20 0.59
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA5B Q9Y2D0 1/20 0.51

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
SCHEMBL6968104 0.89 NOS1 (0.57) NOS1NOS3NOS2RAB9A
SCHEMBL6957505 0.85 NPC1 (0.60) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL9037376 0.85 NOS1 (0.78) NOS1NOS3NOS2
SCHEMBL6958481 0.84 NOS1 (0.62) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL9038718 0.83 NOS1 (0.57) NOS1NOS3NOS2NPC1RAB9A
Iodide SCHEMBL6962652 0.83 NOS1 (0.56) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL6968445 0.82 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL9037979 0.81 NOS1 (0.78) NOS1NOS3NOS2
SCHEMBL6963562 0.81 NOS1 (0.78) NOS1NOS3NOS2
SCHEMBL6959997 0.81 NOS1 (0.59) NOS1NOS3NOS2NPC1RAB9A

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