SCHEMBL1572389

SCHEMBL1572389

Cc1cccc(-c2sc(C)nc2C(=O)N2[C@H](CNC(=O)c3ccc(Br)cc3)C[C@H]3C[C@@H]32)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.69
HCRTR2 O43614 19/20 0.69

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
SCHEMBL1572390 1.00 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1572384 1.00 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1572295 0.93 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1572542 0.93 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1572298 0.93 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1572300 0.93 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1571709 0.92 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1571711 0.92 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1571714 0.92 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1572449 0.91 HCRTR1 (0.72) HCRTR1HCRTR2

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
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP disclosed