SCHEMBL9956945

SCHEMBL9956945

Cc1cc(N2C[C@H]3CCN(c4cnc5c(F)c(F)ccc5n4)C[C@H]32)c(-c2ccccc2)c(C=O)c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.39
HCRTR2 O43614 18/20 0.39
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL9957614 0.91 HCRTR1 (0.41) HCRTR1HCRTR2DPP4DPP8DPP9
SCHEMBL9957414 0.88 HCRTR1 (0.38) HCRTR1HCRTR2DPP4DPP8DPP9
SCHEMBL9957772 0.81 HCRTR1 (0.39) HCRTR1HCRTR2DPP4DPP8DPP9
SCHEMBL9957606 0.79 HCRTR1 (0.40) HCRTR1HCRTR2DPP4DPP8DPP9
SCHEMBL9958147 0.78 HCRTR1 (0.43) HCRTR1HCRTR2DPP4DPP8DPP9
SCHEMBL9957805 0.78 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL9957391 0.78 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL9956894 0.77 HCRTR2 (0.38) HCRTR1HCRTR2
SCHEMBL9956949 0.73 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL9957415 0.72 HCRTR1 (0.45) 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