SCHEMBL6923989

SCHEMBL6923989

Cc1ccc(C2N=CC=CN2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.60
HCRTR1 O43613 19/20 0.60

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
SCHEMBL1673045 0.75 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL18231372 0.75 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL1671334 0.75 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL24013877 0.71 HCRTR2 (0.61) HCRTR2HCRTR1
SCHEMBL6926385 0.69 HCRTR1 (0.63) HCRTR2HCRTR1
SCHEMBL1672174 0.67 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL1671900 0.67 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL1671429 0.66 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL1670971 0.66 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL30465891 0.66 HCRTR1 (1.00) HCRTR2HCRTR1

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-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed