SCHEMBL6961265

SCHEMBL6961265

N=C(Nc1ccc(CCNCc2cccc(F)c2)cc1)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.48
NOS3 P29474 3/20 0.48
NOS2 P35228 2/20 0.48
MPO P05164 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.42
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6964304 0.91 MPO (0.46) NOS1NOS3NOS2MPORAB9A
SCHEMBL15499646 0.91 MPO (0.46) NOS1NOS3NOS2MPORAB9A
SCHEMBL15499648 0.90 NOS3 (0.51) NOS1NOS3NOS2CYP1A2CYP3A4
SCHEMBL122445 0.87 NOS3 (0.64) NOS1NOS3NOS2CYP1A2CYP3A4
SCHEMBL29558856 0.87 NOS3 (0.64) NOS1NOS3NOS2CYP1A2CYP3A4
Oxalic Acid SCHEMBL27528078 0.87 MEN1 (0.48) NOS1NOS3NOS2MPORAB9A
SCHEMBL6963560 0.86 GAA (0.49) NOS1NOS3NOS2CYP1A2CYP2C19
SCHEMBL6958210 0.86 GAA (0.49) NOS1NOS3NOS2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL31114391 0.86 NOS3 (0.65) NOS1NOS3NOS2CYP1A2CYP3A4
SCHEMBL27357975 0.84 NOS3 (0.47) NOS1NOS3NOS2RAB9ANPC1

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