SCHEMBL16612865

SCHEMBL16612865

COc1nc(NCCn2c[c]c(C(N)=O)n2)nc(OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.38
POLB P06746 1/20 0.33

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
SCHEMBL12479162 0.85 HCRTR2 (0.39) HCRTR2POLB
SCHEMBL16612872 0.85 HCRTR2 (0.41) HCRTR2
SCHEMBL16612772 0.83 KMT2A (0.46) HCRTR2
SCHEMBL16612825 0.79 HCRTR2 (0.41) HCRTR2
SCHEMBL16612738 0.79 HCRTR2 (0.36) HCRTR2
SCHEMBL16612742 0.79 HCRTR2 (0.39) HCRTR2POLB
SCHEMBL16612726 0.77 ALDH1A1 (0.40) HCRTR2
SCHEMBL16612778 0.75 HCRTR2 (0.40) HCRTR2POLB
SCHEMBL16612690 0.74 HCRTR2 (0.35) HCRTR2
SCHEMBL16612600 0.73 HCRTR2 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP claimed