SCHEMBL1398616

SCHEMBL1398616

Cc1cccc(-c2sc(C)nc2C(=O)N2CC[C@@H]2CNC(=O)c2cccc3c2OCCN3C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 1.00
HCRTR2 O43614 18/20 1.00

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
SCHEMBL1398603 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1398799 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1398596 0.89 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL1398756 0.89 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL1398662 0.89 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL1398920 0.89 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL1398774 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL1398702 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL1398743 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL1398675 0.87 HCRTR1 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed