SCHEMBL9957449

SCHEMBL9957449

Cc1ccc(-n2cccn2)c(C=O)c1N1C[C@H]2CCN(c3cnc4cc(F)c(F)cc4n3)C[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.42
HCRTR1 O43613 19/20 0.42

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
SCHEMBL9957700 0.93 HCRTR2 (0.43) HCRTR2HCRTR1
SCHEMBL9956894 0.90 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL9955934 0.89 HCRTR1 (0.48) HCRTR2HCRTR1
SCHEMBL9955336 0.83 HCRTR1 (0.48) HCRTR2HCRTR1
SCHEMBL9957138 0.82 HCRTR1 (0.50) HCRTR2HCRTR1
SCHEMBL9957993 0.79 HCRTR1 (0.48) HCRTR2HCRTR1
SCHEMBL9958299 0.79 HCRTR1 (0.48) HCRTR2HCRTR1
SCHEMBL9957391 0.79 HCRTR1 (0.41) HCRTR2HCRTR1
SCHEMBL9957452 0.77 HCRTR2 (0.49) HCRTR2HCRTR1
SCHEMBL9957614 0.76 HCRTR1 (0.41) 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