SCHEMBL2461598

SCHEMBL2461598

O=CC(N1CCCCCC1)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.44
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TNF P01375 1/20 0.36
LCK P06239 1/20 0.36
BTK Q06187 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
GRM4 Q14833 1/20 0.35
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 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
SCHEMBL2461026 1.00 FAAH (0.44) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2463735 0.85 FAAH (0.43) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2455656 0.81 FAAH (0.46) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2536956 0.79 FAAH (0.43) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2458877 0.79 FAAH (0.47) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2463768 0.78 FAAH (0.43) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2460833 0.77 FAAH (0.45) FAAHTNFTRPV1GRM4IGF1R
SCHEMBL2456458 0.77 FAAH (0.45) FAAHTNFLCKBTKTRPV1
SCHEMBL2457036 0.77 TNF (0.39) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL7903064 0.77 FAAH (0.48) FAAHKDM4ENPC1RAB9AALDH1A1

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