SCHEMBL4742398

SCHEMBL4742398

Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1-c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.47
HCRTR2 O43614 9/20 0.47
DPP4 P27487 1/20 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
SCHEMBL4787212 0.90 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL4785103 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL4787230 0.88 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL4742498 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4786488 0.87 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL4787256 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3011851 0.84 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1572277 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1572023 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL3638516 0.83 HCRTR1 (0.50) 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-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed