SCHEMBL9956516

SCHEMBL9956516

Cc1ccc(-n2cccn2)c(C(=O)N2CC3CCN(C(=O)OC(C)(C)C)CC32)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPR P35270 5/20 0.51
HCRTR1 O43613 13/20 0.48
HCRTR2 O43614 12/20 0.48
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL9954161 0.93 SPR (0.51) SPRHCRTR1HCRTR2
SCHEMBL9954160 0.93 SPR (0.51) SPRHCRTR1HCRTR2
SCHEMBL9957752 0.88 HCRTR2 (0.59) SPRHCRTR1HCRTR2
SCHEMBL9956752 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL9954722 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL9956489 0.80 HCRTR1 (0.64) SPRHCRTR1HCRTR2
SCHEMBL9957879 0.79 GPR119 (0.50) SPRHCRTR1HCRTR2GPR119
SCHEMBL9959143 0.78 SPR (0.46) SPRHCRTR1HCRTR2GPR119
Hydrochloric Acid SCHEMBL9956777 0.77 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL9957016 0.74 HCRTR2 (0.65) 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 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