SCHEMBL5802846

SCHEMBL5802846

Cc1nc(C(=O)C2CCN[C@H](CNC(=O)c3cccc4occc34)C2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.64
HCRTR2 O43614 17/20 0.64

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
SCHEMBL5802204 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL6836698 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL5822757 0.81 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1398620 0.80 HCRTR1 (0.90) HCRTR1HCRTR2
SCHEMBL1398677 0.80 HCRTR1 (0.90) HCRTR1HCRTR2
SCHEMBL1398707 0.80 HCRTR1 (0.90) HCRTR1HCRTR2
SCHEMBL4002978 0.79 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL4003868 0.79 HCRTR1 (0.59) HCRTR1HCRTR2
Sb-649868 SCHEMBL8045969 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
Sb-649868 SCHEMBL29424764 0.78 HCRTR1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006081522-A2 MODULATION OF NMDA RECEPTOR CURRENTS VIA OREXIN RECEPTOR AND/OR CRF RECEPTOR THE REGENTS OF THE UNVERSITY OF CALIFORNIA (US) 2006-08-03 WO disclosed
EP-1289955-A1 PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001096302-A1 PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-12-20 WO disclosed