SCHEMBL16612600

SCHEMBL16612600

COc1ccnc(NCCCn2c[c]c(C(N)=O)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
PDPK1 O15530 11/20 0.40
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL16612825 0.94 HCRTR2 (0.41) HCRTR2ADRA1DADRA1AADRA1BPDPK1
SCHEMBL16612742 0.87 HCRTR2 (0.39) HCRTR2ADRA1DADRA1AADRA1B
SCHEMBL12479162 0.81 HCRTR2 (0.39) HCRTR2
SCHEMBL16612726 0.75 ALDH1A1 (0.40) HCRTR2
SCHEMBL16612866 0.75 HCRTR2 (0.41) HCRTR2
SCHEMBL16612872 0.74 HCRTR2 (0.41) HCRTR2ADRA1DADRA1AADRA1B
SCHEMBL16612865 0.73 HCRTR2 (0.38) HCRTR2
SCHEMBL16612711 0.73 POLB (0.36) HCRTR2
SCHEMBL12479497 0.72 HCRTR2 (0.50) HCRTR2PDPK1HRH4
SCHEMBL16612778 0.71 HCRTR2 (0.40) 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