SCHEMBL3698511

SCHEMBL3698511

CCNc1c(C(=O)NC)cccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
PLK1 P53350 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CXCR2 P25025 1/20 0.42
HNF4A P41235 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL3704895 0.89 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PLK1
SCHEMBL3708756 0.86 CYP2C9 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL3714026 0.86 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3PLK1
SCHEMBL7259314 0.84 BCAT2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL29434886 0.80 HNF4A (0.66) CHRNB2CHRNA4CHRNB4CHRNA3PLK1
SCHEMBL3223294 0.79 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL27573602 0.79 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PLK1
SCHEMBL28085560 0.76 HNF4A (0.51) CHRNB2CHRNA4CHRNB4CHRNA3PLK1
SCHEMBL15472559 0.76 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3PLK1
SCHEMBL29854234 0.75 HNF4A (0.50) CHRNB2CHRNA4CHRNB4CHRNA3PLK1

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-2197835-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS Prosidion Limited (GB) 2010-06-23 EP disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 WO disclosed