SCHEMBL7903064

SCHEMBL7903064

CN1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.48
TNF P01375 1/20 0.47
IGF1R P08069 1/20 0.44
GRM4 Q14833 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
HTR3A P46098 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ERBB4 Q15303 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL2461362 0.87 FAAH (0.48) FAAHTNFIGF1RGRM4TRPV1
SCHEMBL2457305 0.86 FAAH (0.48) FAAHTNFIGF1RGRM4TRPV1
SCHEMBL2455656 0.86 FAAH (0.46) FAAHTNFIGF1RGRM4TRPV1
SCHEMBL12220835 0.85 FAAH (0.51) FAAHTNFIGF1RGRM4MAPK1
SCHEMBL2460744 0.85 FAAH (0.46) FAAHTNFIGF1RGRM4TRPV1
SCHEMBL2461380 0.85 FAAH (0.47) FAAHTNFIGF1RGRM4TRPV1
SCHEMBL2536956 0.84 FAAH (0.43) FAAHTNFIGF1RGRM4TRPV1
SCHEMBL2457062 0.84 FAAH (0.46) FAAHTNFIGF1RGRM4TRPV1
SCHEMBL2462344 0.84 FAAH (0.46) FAAHTNFIGF1RGRM4TRPV1
SCHEMBL2457045 0.84 FAAH (0.46) FAAHTNFIGF1RTRPV1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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