SCHEMBL6968445

SCHEMBL6968445

NC(=Nc1ccc(CCC(=O)NCc2ccccc2)cc1)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.60
HPGD P15428 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NOS3 P29474 3/20 0.54
NOS2 P35228 2/20 0.54
TPSAB1 Q15661 1/20 0.51
TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL6966986 0.94 NOS1 (0.64) NOS1HPGDL3MBTL1NOS3NOS2
SCHEMBL6968104 0.89 NOS1 (0.57) NOS1HPGDL3MBTL1NOS3NOS2
SCHEMBL6973670 0.85 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL6973673 0.85 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL6969350 0.82 NOS1 (0.63) NOS1NOS3NOS2
SCHEMBL6968123 0.82 NOS1 (0.68) NOS1NOS3NOS2
SCHEMBL6963562 0.81 NOS1 (0.78) NOS1NOS3NOS2
SCHEMBL9037979 0.81 NOS1 (0.78) NOS1NOS3NOS2
SCHEMBL9037867 0.81 PLAU (0.69) NOS1HPGDNOS3NOS2TPSAB1
SCHEMBL9218996 0.80 NOS1 (0.54) 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 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