SCHEMBL2837495

SCHEMBL2837495

Cc1cc(=O)n(CCC2CCCCC2)c(-c2ncccc2OCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
CASR P41180 1/20 0.39
C5AR1 P21730 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ACHE P22303 1/20 0.38
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
CTSK P43235 1/20 0.37
HPGD P15428 1/20 0.37
GRM5 P41594 1/20 0.37
ADAM17 P78536 1/20 0.37
HTR2A P28223 1/20 0.37
CNR1 P21554 2/20 0.36
GCK P35557 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
SCHEMBL2838115 0.84 CASR (0.55) CASRGRM5GCKLTA4HMAPK14
SCHEMBL2840670 0.84 HTR2C (0.40) HTR2CSLC6A4C5AR1PSEN1PSEN2
SCHEMBL4156885 0.78 CASR (0.44) HTR2CSLC6A4CASRCTSSHPGD
SCHEMBL2843300 0.77 CASR (0.52) HTR2CSLC6A4CASRC5AR1PSEN1
SCHEMBL27730648 0.71 CASR (0.46) HTR2CSLC6A4CASRHPGDCNR1
SCHEMBL4143491 0.71 CASR (0.67) CASR
SCHEMBL2839722 0.67 TSHR (0.46) CASRGRM5LTA4HMAPK14
SCHEMBL2839694 0.64 CYP1A2 (0.43) CASRGRM5LTA4HMAPK14
SCHEMBL2838847 0.64 CASR (0.55) CASRGCKLTA4HMAPK14
SCHEMBL13851700 0.64 BRD4 (0.44) CASRGRM5PTGER1

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-2010039913-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed