SCHEMBL457579

SCHEMBL457579

CCOC(=O)C=Cc1cc(C)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.49
DPP4 P27487 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CYP3A4 P08684 1/20 0.47
FDPS P14324 1/20 0.46
MAOB P27338 1/20 0.45
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PTGS2 P35354 1/20 0.40
PKM P14618 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
SCHEMBL457578 1.00 TTR (0.49) TTRDPP4CA12CA1CA2
SCHEMBL29403887 0.85 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL22186887 0.85 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL17054008 0.85 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL4096954 0.85 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL4096951 0.85 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL29550384 0.81 CA12 (0.51) TTRDPP4CA12CA1CA2
SCHEMBL2302128 0.81 CA12 (0.51) TTRDPP4CA12CA1CA2
SCHEMBL2302901 0.81 CA12 (0.51) TTRDPP4CA12CA1CA2
SCHEMBL13199834 0.81 NPC1 (0.37) CYP3A4NPC1RAB9AMAPTLMNA

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed