SCHEMBL550372

SCHEMBL550372

Cc1cc(NC(=O)C(C)C)ccc1N1CCCC2(CCN([C@H]3CC[C@H](O)CC3)C2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE7A Q13946 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH3 Q9Y5N1 6/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL2699639 1.00 KDM4E (0.44) KDM4ERECQLALDH1A1MAPTNPSR1
SCHEMBL550028 1.00 KDM4E (0.44) KDM4ERECQLALDH1A1MAPTNPSR1
SCHEMBL550373 1.00 KDM4E (0.44) KDM4ERECQLALDH1A1MAPTNPSR1
SCHEMBL550027 1.00 KDM4E (0.44) KDM4ERECQLALDH1A1MAPTNPSR1
SCHEMBL2699645 1.00 KDM4E (0.44) KDM4ERECQLALDH1A1MAPTNPSR1
SCHEMBL3699640 0.91 PDE7A (0.39) KDM4EALDH1A1MAPTPDE7AHRH3
SCHEMBL2697416 0.91 PDE7A (0.39) KDM4EALDH1A1MAPTPDE7AHRH3
SCHEMBL3699636 0.91 PDE7A (0.39) KDM4EALDH1A1MAPTPDE7AHRH3
SCHEMBL2697412 0.91 PDE7A (0.39) KDM4EALDH1A1MAPTPDE7AHRH3
SCHEMBL549753 0.90 KDM4E (0.51) KDM4ERECQLALDH1A1MAPTNPSR1

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