SCHEMBL6960940

SCHEMBL6960940

CN(CCc1ccc(NC(=N)C(F)(F)F)cc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.48
BCHE P06276 3/20 0.48
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
NAMPT P43490 1/20 0.46
MTOR P42345 1/20 0.44
HDAC1 Q13547 1/20 0.43
LTA4H P09960 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
HTR5A P47898 1/20 0.41
NPY5R Q15761 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 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
SCHEMBL7598493 0.83 BCHE (0.51) ACHEBCHESIGMAR1TMEM97NAMPT
SCHEMBL7595886 0.79 ACHE (0.47) ACHEBCHESIGMAR1TMEM97NAMPT
SCHEMBL7597707 0.78 BCHE (0.46) ACHEBCHESIGMAR1TMEM97NAMPT
SCHEMBL21485029 0.77 ACHE (0.51) ACHEBCHESIGMAR1TMEM97NAMPT
SCHEMBL7600769 0.77 ACHE (0.51) ACHEBCHESIGMAR1TMEM97NAMPT
SCHEMBL6958297 0.76 BCHE (0.44) ACHEBCHESIGMAR1TMEM97NAMPT
SCHEMBL8402960 0.75 SIGMAR1 (0.71) SIGMAR1CARM1PRMT6PRMT8
SCHEMBL4422628 0.73 SIGMAR1 (0.59) BCHESIGMAR1TMEM97HDAC1CARM1
SCHEMBL12018644 0.73 SIGMAR1 (0.59) ACHEBCHESIGMAR1HDAC1CARM1
SCHEMBL9720765 0.73 SIGMAR1 (0.59) ACHEBCHESIGMAR1HDAC1CARM1

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-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
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
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