SCHEMBL6961364

SCHEMBL6961364

Nc1cccc(CCN(CCc2ccccc2)C(=O)C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
CYP19A1 P11511 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
CES1 P23141 5/20 0.42
FAAH O00519 3/20 0.42
MLYCD O95822 1/20 0.42
KCNH2 Q12809 1/20 0.42
OPRK1 P41145 2/20 0.41
ALOX5 P09917 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PRMT1 Q99873 1/20 0.38

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
SCHEMBL6962482 0.84 MAOA (0.47) MAOAMAOBCYP19A1MEN1NPC1
SCHEMBL6956921 0.83 GRIN2D (0.45) MAOAMAOBMEN1KMT2ATDP1
SCHEMBL6967760 0.81 RCE1 (0.49) MAOAMAOBMEN1NPC1RAB9A
SCHEMBL6956260 0.81 RCE1 (0.49) MAOAMAOBMEN1NPC1RAB9A
SCHEMBL6967315 0.79 KCNH2 (0.58) MEN1NPC1RAB9AKMT2ASIGMAR1
SCHEMBL4203007 0.79 MAOA (0.56) MAOAMAOBCYP19A1MEN1NPC1
SCHEMBL15265794 0.78 MAOA (0.54) MAOAMAOBCYP19A1MEN1NPC1
SCHEMBL25301481 0.78 TDP1 (0.50) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL16366240 0.78 GYS1 (0.39) MAOAMAOBCYP19A1TDP1GRM2
SCHEMBL9762900 0.77 FAAH (0.38) MAOAMAOBCES1FAAHOPRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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