SCHEMBL17445035

SCHEMBL17445035

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(C)c3Cl)cc2nc1N1CC[C@H](C)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
HSD11B1 P28845 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PDE2A O00408 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL15077207 0.93 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL2737589 0.93 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL17445032 0.92 HCRTR1 (0.41) HCRTR1HCRTR2HSP90AA1HSP90AB1HSD11B1
SCHEMBL15077266 0.92 HCRTR1 (0.38) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL17445068 0.92 MGLL (0.41) HCRTR1HCRTR2GPBAR1
SCHEMBL2737735 0.91 HCRTR1 (0.38) HCRTR1HCRTR2HSP90AA1HSP90AB1HSD11B1
SCHEMBL15316912 0.91 HSP90AA1 (0.37) HSP90AA1HSP90AB1
SCHEMBL15077246 0.91 HSP90AA1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1GPBAR1
SCHEMBL17445023 0.90 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL15077270 0.89 GPBAR1 (0.36) HCRTR1HCRTR2HSP90AA1HSP90AB1GPBAR1

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
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed