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SCHEMBL1572386

SCHEMBL1572386

Cc1cccc(-c2sc(C)nc2C(=O)N2[C@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]3C[C@@H]32)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 20/20 0.66
▸ HCRTR2 O43614 18/20 0.66

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
SCHEMBL1572391 1.00 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1572388 1.00 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1571990 0.95 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1571985 0.95 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1571987 0.95 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1572449 0.90 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL1572447 0.90 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL1572446 0.90 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL1572428 0.89 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1572426 0.89 HCRTR1 (0.64) 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