SCHEMBL17082172

SCHEMBL17082172

CCOC(=O)Nc1ccc(N2CCC[C@@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 5/20 0.38
KMT2A Q03164 5/20 0.38
HSD17B10 Q99714 4/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NR1I3 Q14994 3/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL4572363 1.00 PDE7A (0.39) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL10262831 0.94 HPGD (0.41) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL17082078 0.94 HPGD (0.41) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL17082105 0.92 ALDH1A1 (0.42) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL4572364 0.92 ALDH1A1 (0.42) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL17082109 0.91 PDE7A (0.37) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL10263404 0.91 PDE7A (0.37) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL4570159 0.90 ALDH1A1 (0.39) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL17082116 0.90 ALDH1A1 (0.39) PDE7AALDH1A1MAPTHPGDKMT2A
SCHEMBL551311 0.89 ALDH1A1 (0.41) PDE7AALDH1A1MAPTHPGDKMT2A

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