SCHEMBL24387355

SCHEMBL24387355

COc1cnc(Br)cc1-c1cc2ccnn2c(SC)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.34
MAPK1 P28482 1/20 0.30

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
SCHEMBL24529289 0.86 HCRTR2 (0.35) HCRTR2
SCHEMBL24387354 0.84 HCRTR2 (0.34) HCRTR2
SCHEMBL24387358 0.83 HCRTR2 (0.34) HCRTR2
SCHEMBL29749929 0.83 HCRTR2 (0.34) HCRTR2
SCHEMBL24529331 0.80 HCRTR2 (0.34) HCRTR2
SCHEMBL29749915 0.79 HCRTR2 (0.33) HCRTR2
SCHEMBL26911143 0.79 HCRTR2 (0.33) HCRTR2
SCHEMBL26911139 0.79 HCRTR2 (0.35) HCRTR2
SCHEMBL24387558 0.79 HCRTR2 (0.33) HCRTR2
Hydrochloric Acid SCHEMBL26911052 0.78 HCRTR2 (0.33) HCRTR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262788-A1 UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-10-25 EP disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 WO disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed