SCHEMBL2458879

SCHEMBL2458879

c1ccc2ncc(Nc3ncnc4c3CN(CCC3CCCCC3)C4)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.56
TRPV1 Q8NER1 2/20 0.40
ULK1 O75385 1/20 0.39
HTR7 P34969 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 1/20 0.37
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2460834 0.99 FAAH (0.54) FAAHTRPV1ULK1HTR7LMNA
SCHEMBL2456460 0.97 FAAH (0.52) FAAHTRPV1ULK1HTR7EGFR
SCHEMBL2457322 0.91 FAAH (0.64) FAAHTRPV1ULK1HTR7LMNA
SCHEMBL2456948 0.90 FAAH (0.62) FAAHTRPV1ULK1HTR7KDM4E
SCHEMBL2458662 0.88 FAAH (0.60) FAAHTRPV1ULK1HTR7LMNA
SCHEMBL2459086 0.86 FAAH (0.57) FAAHTRPV1ULK1HTR7IGF1R
SCHEMBL2461362 0.85 FAAH (0.48) FAAHTRPV1LMNATSHREGFR
SCHEMBL4872601 0.85 FAAH (0.74) FAAHTRPV1LMNAHTTEGFR
SCHEMBL2462344 0.84 FAAH (0.46) FAAHTRPV1ULK1EGFRIGF1R
SCHEMBL2456309 0.84 FAAH (0.46) FAAHTRPV1ULK1NPSR1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364316-A1 6, 7 -dihydro- 5h- pyrrolo [3, 4-d¨pyrimidin-4-yl]-quinolin-3 -ylamine compounds useful as FAAH modulators and uses thereof Renovis, Inc. (US) 2011-09-14 EP claimed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 WO claimed
EP-2364316-A1 6, 7 -dihydro- 5h- pyrrolo [3, 4-d¨pyrimidin-4-yl]-quinolin-3 -ylamine compounds useful as FAAH modulators and uses thereof Renovis, Inc. (US) 2011-09-14 EP disclosed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 WO disclosed