SCHEMBL17082115

SCHEMBL17082115

C#CCOC(=O)Nc1cnc(N2CCC[C@@]3(CCN([C@H]4CC[C@@H](O)CC4)C3=O)C2)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.33
HCRTR1 O43613 1/20 0.33
PDE5A O76074 2/20 0.31
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31
HSD11B1 P28845 1/20 0.30
MALT1 Q9UDY8 2/20 0.30
TTK P33981 1/20 0.30
PLK1 P53350 1/20 0.30

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
SCHEMBL17082119 1.00 HCRTR2 (0.33) HCRTR2HCRTR1PDE5ATSHRFSHR
SCHEMBL4570186 1.00 HCRTR2 (0.33) HCRTR2HCRTR1PDE5ATSHRFSHR
SCHEMBL4570217 1.00 HCRTR2 (0.33) HCRTR2HCRTR1PDE5ATSHRFSHR
SCHEMBL17082148 0.91 ROCK2 (0.32) TSHRFSHRHSD11B1
SCHEMBL4570221 0.91 ROCK2 (0.32) TSHRFSHRHSD11B1
SCHEMBL4570222 0.91 ALDH1A1 (0.35) HCRTR2HCRTR1PDE5ATSHRFSHR
SCHEMBL17082195 0.91 ALDH1A1 (0.35) HCRTR2HCRTR1PDE5ATSHRFSHR
SCHEMBL17082161 0.91 ALDH1A1 (0.35) HCRTR2HCRTR1PDE5ATSHRFSHR
SCHEMBL4570183 0.91 ALDH1A1 (0.35) HCRTR2HCRTR1PDE5ATSHRFSHR
SCHEMBL17082149 0.90 MAPT (0.33) HCRTR2HCRTR1PDE5AMALT1TTK

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
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed