SCHEMBL2456460

SCHEMBL2456460

c1ccc2ncc(Nc3ncnc4c3CN(CCC3CCC3)C4)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.52
ULK1 O75385 1/20 0.39
HTR7 P34969 2/20 0.38
HTR6 P50406 1/20 0.38
TNF P01375 1/20 0.38
TRPV1 Q8NER1 2/20 0.36
GRM4 Q14833 1/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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 0.98 FAAH (0.54) FAAHULK1HTR7HTR6TNF
SCHEMBL2458879 0.97 FAAH (0.56) FAAHULK1HTR7HTR6TNF
SCHEMBL2458662 0.91 FAAH (0.60) FAAHULK1HTR7TNFTRPV1
SCHEMBL2456948 0.89 FAAH (0.62) FAAHULK1HTR7TNFTRPV1
SCHEMBL2457322 0.88 FAAH (0.64) FAAHULK1HTR7TNFTRPV1
SCHEMBL2459086 0.87 FAAH (0.57) FAAHULK1HTR7HTR6TNF
SCHEMBL2461362 0.86 FAAH (0.48) FAAHTNFTRPV1GRM4EGFR
SCHEMBL2456309 0.85 FAAH (0.46) FAAHULK1TNFTRPV1GRM4
SCHEMBL2462344 0.85 FAAH (0.46) FAAHULK1TNFTRPV1GRM4
SCHEMBL2456865 0.84 FAAH (0.53) FAAHULK1TNFTRPV1GRM4

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