SCHEMBL9956423

SCHEMBL9956423

Cc1ccc(-c2ccccc2)c(C(=O)N2C[C@@H]3CCN(c4nc(-c5cccc(F)c5)c(C)s4)C[C@@H]32)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.43
HCRTR1 O43613 18/20 0.43

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
SCHEMBL9957405 0.87 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL9957525 0.85 HCRTR1 (0.48) HCRTR2HCRTR1
SCHEMBL9955442 0.84 HCRTR1 (0.53) HCRTR2HCRTR1
SCHEMBL9957747 0.81 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL9956135 0.78 HCRTR1 (0.53) HCRTR2HCRTR1
SCHEMBL9958148 0.77 HCRTR1 (0.48) HCRTR2HCRTR1
SCHEMBL9957715 0.76 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL9957608 0.75 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL9957775 0.75 HCRTR1 (0.47) HCRTR2HCRTR1
SCHEMBL9957771 0.75 HCRTR1 (0.45) HCRTR2HCRTR1

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