SCHEMBL8490628

SCHEMBL8490628

CCc1ncnc(N[C@H]2CC[C@@H](c3ccccc3)CC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.46
GRM2 Q14416 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
MEN1 O00255 1/20 0.39
ADORA3 P0DMS8 5/20 0.38
ADORA2A P29274 5/20 0.38
ADORA2B P29275 5/20 0.38
ADORA1 P30542 5/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SRC P12931 1/20 0.37
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
BTK Q06187 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL8490623 1.00 PRCP (0.46) PRCPGRM2IRAK4MEN1ADORA3
SCHEMBL8020504 0.88 IRAK4 (0.41) PRCPIRAK4ADORA3ADORA2AADORA2B
SCHEMBL8693150 0.85 PRCP (0.41) PRCPIRAK4MEN1ADORA3ADORA2A
SCHEMBL8597662 0.85 PRCP (0.41) PRCPIRAK4MEN1ADORA3ADORA2A
SCHEMBL8597660 0.85 PRCP (0.41) PRCPIRAK4MEN1ADORA3ADORA2A
SCHEMBL8693147 0.85 PRCP (0.41) PRCPIRAK4MEN1ADORA3ADORA2A
SCHEMBL7971763 0.83 ADORA3 (0.39) MEN1ADORA3ADORA2AADORA2BADORA1
SCHEMBL8595511 0.83 PRCP (0.40) PRCPIRAK4MEN1ADORA3ADORA2A
SCHEMBL8595512 0.83 PRCP (0.40) PRCPIRAK4MEN1ADORA3ADORA2A
SCHEMBL8596645 0.83 LMNA (0.40) PRCPIRAK4MEN1ADORA3ADORA2A

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-1999059978-A1 SUBSTITUTED NITROGEN HETEROCYCLES AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-11-25 WO disclosed