SCHEMBL3914191

SCHEMBL3914191

Cc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC2A1 P11166 3/20 0.38
RORC P51449 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
FASN P49327 3/20 0.35
SLC6A4 P31645 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
S1PR2 O95136 1/20 0.34
POLB P06746 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL2949843 0.96 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1RORC
SCHEMBL2949838 0.92 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1RORC
SCHEMBL2942678 0.91 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1RORC
SCHEMBL2951612 0.90 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1POLB
SCHEMBL2942693 0.89 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19SLC2A1RORC
SCHEMBL2942695 0.89 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19SLC2A1RORC
SCHEMBL2946687 0.87 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19SLC2A1RORC
SCHEMBL2638917 0.86 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19SLC2A1RORC
SCHEMBL2948814 0.84 SLC2A1 (0.43) CYP3A4SLC2A1KMT2AMEN1
SCHEMBL2950561 0.83 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP claimed
EP-1940782-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045572-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
EP-1940782-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP disclosed
WO-2007045572-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO disclosed