SCHEMBL551434

SCHEMBL551434

CC(=O)Nc1ccc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.41
HPGD P15428 7/20 0.40
HSD17B10 Q99714 6/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 7/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 2/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RXFP1 Q9HBX9 1/20 0.36
CRBN Q96SW2 1/20 0.35
OTUD7B Q6GQQ9 4/20 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
SCHEMBL550091 1.00 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL2697830 1.00 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL2697828 1.00 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL550092 1.00 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL551435 1.00 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL2700878 0.92 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL3703664 0.92 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL3703666 0.92 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL2700876 0.92 PDE7A (0.41) PDE7AHPGDHSD17B10NPSR1TP53
SCHEMBL4572364 0.91 ALDH1A1 (0.42) PDE7AHPGDHSD17B10NPSR1TP53

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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed