SCHEMBL9957280

SCHEMBL9957280

CC(C)(C)OC(=O)N1CC2CCN(c3cnc4ccccc4n3)CC21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.50
HCRTR1 O43613 8/20 0.46
HCRTR2 O43614 8/20 0.46
RET P07949 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 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
SCHEMBL9957283 1.00 GPR119 (0.50) GPR119HCRTR1HCRTR2RETHCAR2
SCHEMBL1586058 0.91 HCRTR1 (0.51) HCRTR1HCRTR2HCAR2
SCHEMBL9957068 0.88 RET (0.46) GPR119HCRTR1HCRTR2RETDPP4
SCHEMBL9957065 0.88 RET (0.46) GPR119HCRTR1HCRTR2RETDPP4
SCHEMBL9957542 0.84 HCRTR1 (0.50) HCRTR1HCRTR2HCAR2DPP4DPP8
SCHEMBL3486737 0.83 GPR119 (0.69) GPR119CKS1BSKP1SKP2
SCHEMBL9957734 0.83 RET (0.42) GPR119RETCKS1BSKP1SKP2
SCHEMBL9957737 0.83 RET (0.42) GPR119RETCKS1BSKP1SKP2
SCHEMBL6908647 0.80 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1673184 0.80 HCRTR1 (0.63) GPR119HCRTR1HCRTR2

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