SCHEMBL9957048

SCHEMBL9957048

Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CCN(c4nc5ccc(F)cc5s4)C[C@H]32)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.66
HCRTR2 O43614 20/20 0.66

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
SCHEMBL9957647 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL9957650 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL9957405 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL9957715 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL9956269 0.82 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL9957143 0.82 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1586887 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL14983151 0.79 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL1587000 0.79 HCRTR2 (0.84) HCRTR1HCRTR2
SCHEMBL9957214 0.77 HCRTR1 (0.61) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO claimed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed