SCHEMBL6964306

SCHEMBL6964306

N=C(Nc1ccc(CCNCc2ccccc2Cl)cc1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CNR1 P21554 1/20 0.39
MPO P05164 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6967375 0.90 NOS3 (0.46) NOS3NOS1NOS2MAPTNPC1
SCHEMBL6960876 0.88 NOS3 (0.43) NOS3NOS1NOS2MAPTNPC1
SCHEMBL6958011 0.88 SMN1; SMN2 (0.41) NOS3NOS1NOS2MAPTNPC1
SCHEMBL27355003 0.88 NOS3 (0.40) NOS3NOS1NOS2MAPTNPC1
SCHEMBL6961637 0.88 POLB (0.44) NOS3NOS1NOS2MAPTNPC1
SCHEMBL6962276 0.86 NPC1 (0.52) NOS3NOS1NOS2MAPTNPC1
SCHEMBL6963560 0.86 GAA (0.49) NOS3NOS1NOS2MAPTNPC1
SCHEMBL6958210 0.86 GAA (0.49) NOS3NOS1NOS2MAPTNPC1
SCHEMBL6962883 0.85 NOS3 (0.49) NOS3NOS1NOS2MAPTNPC1
SCHEMBL9037372 0.84 NPC1 (0.51) NOS3NOS1NOS2MAPTNPC1

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