SCHEMBL2840722

SCHEMBL2840722

Cc1nc(-c2ncccc2O)n(CCc2ccccc2)c(=O)c1-c1cc(-c2ccccn2)c(C)s1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.73
NR1I2 O75469 5/20 0.58

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
Hydrochloric Acid SCHEMBL2835851 0.99 CASR (0.72) CASRNR1I2
SCHEMBL2835830 0.87 CASR (0.66) CASRNR1I2
SCHEMBL13418278 0.85 CASR (0.86) CASRNR1I2
SCHEMBL3344554 0.85 CASR (1.00) CASRNR1I2
SCHEMBL2835466 0.84 CASR (0.54) CASRNR1I2
Hydrochloric Acid SCHEMBL3345010 0.84 CASR (0.98) CASRNR1I2
SCHEMBL2839040 0.84 CASR (0.63) CASRNR1I2
SCHEMBL3343107 0.79 CASR (0.81) CASRNR1I2
SCHEMBL3345007 0.79 CASR (0.80) CASRNR1I2
SCHEMBL4135191 0.77 CASR (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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