SCHEMBL6967760

SCHEMBL6967760

Nc1ccc(CN(CCc2ccccc2)C(=O)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.49
MAOB P27338 4/20 0.47
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
MAOA P21397 2/20 0.46
CA4 P22748 3/20 0.45
MLYCD O95822 1/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 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
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FAAH O00519 3/20 0.42
CES1 P23141 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6956260 1.00 RCE1 (0.49) RCE1MAOBCA12CA1CA2
SCHEMBL6968790 0.90 KDM4E (0.47) RCE1MAOBMAOAMEN1KMT2A
SCHEMBL6961141 0.86 RIPK1 (0.43) MAOBLPAR1MEN1KMT2A
SCHEMBL7599280 0.85 LPAR1 (0.43) RCE1MAOBLPAR1LPAR5
SCHEMBL9763406 0.84 FAAH (0.46) MAOBLPAR1LPAR5NPC1RAB9A
SCHEMBL27353880 0.84 KCNH2 (0.39) RCE1MAOBCA12CA1CA2
SCHEMBL9762903 0.84 FAAH (0.42) MAOBLPAR1LPAR5NPC1RAB9A
SCHEMBL6966906 0.83 KCNH2 (0.38) RCE1MAOBMLYCDLPAR1LPAR5
SCHEMBL6968330 0.83 KCNH2 (0.38) RCE1MAOBLPAR1LPAR5MEN1
SCHEMBL6957942 0.82 KCNH2 (0.64) CA12CA1CA2CA4MEN1

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