SCHEMBL9956933

SCHEMBL9956933

Cc1ccc(-n2nccn2)c(C=O)c1N1C[C@H]2CCN(c3nc(-c4cccc(F)c4)c(C)o3)C[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.41
HCRTR2 O43614 20/20 0.41

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
SCHEMBL9957419 0.90 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL9956382 0.84 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL9957155 0.82 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL9954517 0.81 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL9957085 0.77 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL9956935 0.77 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL9957993 0.76 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL9957044 0.76 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL9957138 0.76 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL9955934 0.74 HCRTR1 (0.48) 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