SCHEMBL2463735

SCHEMBL2463735

O=CC(Cl)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.43
TNF P01375 1/20 0.38
ALPL P05186 2/20 0.37
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
IGF1R P08069 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 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 0.85 FAAH (0.44) FAAHTNFGRM4KDM4ENPC1
SCHEMBL2461598 0.85 FAAH (0.44) FAAHTNFGRM4KDM4ENPC1
SCHEMBL2455656 0.84 FAAH (0.46) FAAHTNFALPLGRM4KDM4E
SCHEMBL2536956 0.82 FAAH (0.43) FAAHTNFALPLGRM4KDM4E
SCHEMBL2463768 0.81 FAAH (0.43) FAAHTNFGRM4KDM4ENPC1
SCHEMBL2457036 0.80 TNF (0.39) FAAHTNFALPLKDM4ENPC1
SCHEMBL7903064 0.80 FAAH (0.48) FAAHTNFALPLGRM4KDM4E
SCHEMBL2457411 0.79 FAAH (0.42) FAAHTNFGRM4KDM4ENPC1
SCHEMBL2460833 0.78 FAAH (0.45) FAAHTNFGRM4IGF1RTRPV1
SCHEMBL2490330 0.78 FAAH (0.42) FAAHTNFALPLGRM4KDM4E

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 2 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 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