SCHEMBL6965446

SCHEMBL6965446

NC(=Nc1ccc(CN2CCOCC2)cc1)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.61
NOS3 P29474 11/20 0.61
NOS2 P35228 8/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 1/20 0.58
RAB9A P51151 1/20 0.58
TSHR P16473 1/20 0.49

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
SCHEMBL6968842 0.89 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL9039598 0.88 NOS1 (0.58) NOS1NOS3NOS2
Bromide SCHEMBL8180588 0.88 NOS1 (0.56) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL9212474 0.86 NOS1 (0.60) NOS1NOS3NOS2
Bromide SCHEMBL6961361 0.86 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL4313466 0.82 NOS1 (0.51) NOS1NOS3NOS2
SCHEMBL3975662 0.79 NOS1 (0.78) NOS1NOS3NOS2SMN1; SMN2
Iodide SCHEMBL6961665 0.77 NOS1 (0.47) NOS1NOS3NOS2SMN1; SMN2TSHR
SCHEMBL9047216 0.77 NOS1 (0.56) NOS1NOS3NOS2SMN1; SMN2TSHR
SCHEMBL9039119 0.77 NOS3 (0.61) 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