SCHEMBL6961676

SCHEMBL6961676

CN(CCc1ccc(N)cc1)C(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.47
GFER P55789 1/20 0.41
ESRRG P62508 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MCHR1 Q99705 1/20 0.39
AOC3 Q16853 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.38
TACR1 P25103 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL13181406 0.83 MLYCD (0.64) MLYCDAOC3TACR1TAAR1LTB4R
SCHEMBL14269830 0.83 RIPK1 (0.50) MLYCD
SCHEMBL4802898 0.81 GFER (0.48) MLYCDGFERESRRGSIGMAR1MCHR1
SCHEMBL3010199 0.79 CYP4A11 (0.51) MLYCDESRRGMCHR1
SCHEMBL6956249 0.79 KCNH2 (0.60) MLYCDSIGMAR1KCNH2
SCHEMBL4899887 0.77 KCNH2 (0.43) KCNH2PHLPP2
SCHEMBL4873059 0.75 ESRRG (0.42) MLYCDGFERESRRGSIGMAR1HRH3
SCHEMBL10426074 0.75 KMT2A (0.60) AOC3
SCHEMBL6967760 0.75 RCE1 (0.49) MLYCDMAOAMAOB
SCHEMBL6956260 0.75 RCE1 (0.49) MLYCDMAOAMAOB

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