SCHEMBL551604

SCHEMBL551604

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PDE7A Q13946 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 7/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRBN Q96SW2 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GFER P55789 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
AADAT Q8N5Z0 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
SCHEMBL2699630 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPDE7AHPGD
SCHEMBL550218 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPDE7AHPGD
SCHEMBL551605 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPDE7AHPGD
SCHEMBL550219 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPDE7AHPGD
SCHEMBL2699629 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPDE7AHPGD
SCHEMBL2697412 0.93 PDE7A (0.39) ALDH1A1MAPTKDM4EPDE7AHRH3
SCHEMBL3699640 0.93 PDE7A (0.39) ALDH1A1MAPTKDM4EPDE7AHRH3
SCHEMBL3699636 0.93 PDE7A (0.39) ALDH1A1MAPTKDM4EPDE7AHRH3
SCHEMBL2697416 0.93 PDE7A (0.39) ALDH1A1MAPTKDM4EPDE7AHRH3
SCHEMBL17082096 0.91 PDE7A (0.38) ALDH1A1MAPTKDM4EPDE7AHPGD

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