SCHEMBL9957752

SCHEMBL9957752

Cc1ccc(-n2nccn2)c(C(=O)N2CC3CCN(C(=O)OC(C)(C)C)CC32)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.59
HCRTR1 O43613 18/20 0.59
SPR P35270 1/20 0.49

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
SCHEMBL9956489 0.93 HCRTR1 (0.64) HCRTR2HCRTR1SPR
SCHEMBL9956516 0.88 SPR (0.51) HCRTR2HCRTR1SPR
SCHEMBL9957016 0.86 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL9955001 0.84 HCRTR2 (0.71) HCRTR2HCRTR1
SCHEMBL17539260 0.83 HCRTR2 (0.56) HCRTR2HCRTR1
SCHEMBL17539230 0.83 HCRTR2 (0.56) HCRTR2HCRTR1
SCHEMBL2905303 0.82 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL8218514 0.82 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL13789995 0.82 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL2904616 0.82 HCRTR1 (0.51) 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 1 patent. 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 disclosed