SCHEMBL15820394

SCHEMBL15820394

CCCc1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1C(=O)OC

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.79
HCRTR1 O43613 16/20 0.70

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
SCHEMBL15820063 0.89 HCRTR2 (0.89) HCRTR2HCRTR1
SCHEMBL16797398 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL15826046 0.87 HCRTR2 (0.85) HCRTR2HCRTR1
SCHEMBL15820392 0.85 HCRTR2 (0.81) HCRTR2HCRTR1
SCHEMBL15826053 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16797405 0.82 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL19583479 0.82 HCRTR1 (0.75) HCRTR2HCRTR1
SCHEMBL17668256 0.80 HCRTR2 (0.79) HCRTR2HCRTR1
SCHEMBL16797840 0.80 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL15820007 0.80 HCRTR2 (0.84) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934516-A1 3-ESTER-4-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP claimed
WO-2014099697-A1 3-ESTER-4-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO claimed
EP-3454857-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-20 EP disclosed
WO-2017194548-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-11-16 WO disclosed
EP-3223803-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-10-04 EP disclosed
EP-3218007-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-09-20 EP disclosed
WO-2016083315-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-06-02 WO disclosed
WO-2016075134-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-05-19 WO disclosed