SCHEMBL2331597

SCHEMBL2331597

CCCCCCCCCCC(CNc1cc(C)nc2ccccc12)Nc1cc(C)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
NCF1 P14598 2/20 0.48
OPRK1 P41145 1/20 0.45
HTT P42858 2/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NR4A2 P43354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL2336803 0.84 CYP2C19 (0.48) CYP2C19NCF1OPRK1HTTGALR3
SCHEMBL2331598 0.84 CYP2C19 (0.48) CYP2C19NCF1OPRK1HTTGALR3
SCHEMBL27895835 0.80 CYP2C19 (0.66) CYP2C19NCF1OPRK1NR4A2
SCHEMBL28223102 0.80 CYP2C19 (0.66) CYP2C19NCF1OPRK1NR4A2
Iodide SCHEMBL6297962 0.79 CYP2C19 (0.64) CYP2C19NCF1OPRK1NR4A2
SCHEMBL12763789 0.76 TLR7 (0.66) CYP2C19NCF1OPRK1HTTGALR3
SCHEMBL22390054 0.74 CYP2C19 (0.73) CYP2C19NCF1OPRK1
Quindecamine SCHEMBL2111177 0.74 CYP2C19 (0.73) CYP2C19NCF1OPRK1
SCHEMBL15923206 0.74 NCF1 (0.63) CYP2C19NCF1OPRK1NR4A2
SCHEMBL9588763 0.73 CYP2C19 (0.63) CYP2C19NCF1OPRK1HTTGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014140581-A1 TRANSCRIPTION FACTOR DECOYS PROCARTA BIOSYSTEMS LTD (GB) 2014-09-18 WO disclosed
EP-2552455-A2 TRANSCRIPTION FACTOR DECOYS Procarta Biosystems Ltd (GB) 2013-02-06 EP disclosed
EP-2533815-A1 NUCLEIC ACID COMPLEXES Procarta Biosystems Ltd (GB) 2012-12-19 EP disclosed
WO-2011121357-A2 TRANSCRIPTION FACTOR DECOYS PROCARTA BIOSYSTEMS LIMITED (GB) 2011-10-06 WO disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 WO disclosed