SCHEMBL3833232

SCHEMBL3833232

CCCCCNC(=O)c1nn(CC2CCC2)c2nc(Nc3ccc(C)cc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
P2RY14 Q15391 3/20 0.37
ADORA3 P0DMS8 1/20 0.35
CNR1 P21554 1/20 0.35
RET P07949 2/20 0.35
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
MERTK Q12866 5/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3833238 0.89 P2RY14 (0.47) L3MBTL1P2RY14ADORA3RETLCK
SCHEMBL4792082 0.87 CCNE1 (0.40) P2RY14CNR1RETLCKSRC
SCHEMBL5818038 0.73 GRM5 (0.39) L3MBTL1CNR1MAPTALDH1A1LMNA
SCHEMBL4794383 0.73 CCNE1 (0.41) MAPTALDH1A1RXFP1KDM4EGAA
SCHEMBL4793477 0.72 HTR3A (0.42) RET
SCHEMBL4793209 0.72 ALDH1A1 (0.49) L3MBTL1MAPTALDH1A1KDM4EGAA
SCHEMBL4794506 0.71 CCNE1 (0.40) ALDH1A1RXFP1
SCHEMBL4396398 0.71 P2RY14 (0.49) L3MBTL1P2RY14RETLCKSRC
SCHEMBL3920328 0.68 CNR1 (0.44) L3MBTL1P2RY14CNR1LMNATP53
SCHEMBL5823134 0.68 MAPT (0.47) CNR1MAPTALDH1A1RXFP1SMN1; SMN2

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
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
EP-1919482-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 WO disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed