SCHEMBL16612871

SCHEMBL16612871

NC(=O)c1[c]cn(CCn2ccc3ccc(Cl)nc32)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.36
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
CXCR3 P49682 1/20 0.31

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
SCHEMBL16612773 0.83 MTNR1A (0.53) HCRTR2MTNR1AMTNR1BCXCR3
SCHEMBL16612613 0.81 MTNR1A (0.49) HCRTR2MTNR1A
SCHEMBL16612745 0.79 HDAC6 (0.42) HCRTR2CXCR3
SCHEMBL12480072 0.78 HTR2A (0.41) HCRTR2
SCHEMBL16612954 0.77 LMNA (0.53) MTNR1AMTNR1B
SCHEMBL16612876 0.76 HTR2C (0.41) HCRTR2MTNR1AMTNR1B
SCHEMBL16612705 0.74 HCRTR2 (0.38) HCRTR2CXCR3
SCHEMBL16612790 0.74 HCRTR2 (0.39) HCRTR2CXCR3
SCHEMBL16613000 0.74 HTR2A (0.42) HCRTR2MTNR1AMTNR1B
SCHEMBL16612854 0.73 MTNR1A (0.52) HCRTR2MTNR1AMTNR1B

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