SCHEMBL2843300

SCHEMBL2843300

Cc1nc(-c2ncccc2OCc2ccccc2)n(CCC2CCCCC2)c(=O)c1-c1cc(-c2ccccn2)c(C)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.52
NR1I2 O75469 4/20 0.40
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
PTH1R Q03431 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GRM5 P41594 1/20 0.33
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
ACHE P22303 1/20 0.33
C5AR1 P21730 1/20 0.32

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
SCHEMBL2835830 0.88 CASR (0.66) CASRNR1I2GRM5
SCHEMBL2835466 0.86 CASR (0.54) CASRNR1I2CTSLCTSSCTSK
SCHEMBL2840670 0.80 HTR2C (0.40) HTR2CSLC6A4PSEN1PSEN2APH1B
SCHEMBL2837495 0.77 HTR2C (0.41) CASRHTR2CSLC6A4PSEN1PSEN2
SCHEMBL2837296 0.76 CASR (0.49) CASRNR1I2
SCHEMBL2840722 0.76 CASR (0.73) CASRNR1I2
Hydrochloric Acid SCHEMBL2835851 0.75 CASR (0.72) CASRNR1I2
SCHEMBL2838847 0.73 CASR (0.55) CASRNR1I2
SCHEMBL3345007 0.72 CASR (0.80) CASRNR1I2
SCHEMBL13418278 0.69 CASR (0.86) CASRNR1I2

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