SCHEMBL550050

SCHEMBL550050

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
RECQL P46063 2/20 0.44
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE7A Q13946 3/20 0.38
NPY2R P49146 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GLA P06280 1/20 0.35
BACE2 Q9Y5Z0 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
SCHEMBL549753 1.00 KDM4E (0.51) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL2700904 1.00 KDM4E (0.51) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL549754 1.00 KDM4E (0.51) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL2700909 1.00 KDM4E (0.51) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL550051 1.00 KDM4E (0.51) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL550028 0.90 KDM4E (0.44) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL2699645 0.90 KDM4E (0.44) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL550372 0.90 KDM4E (0.44) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL2699639 0.90 KDM4E (0.44) KDM4ERECQLMAPTALDH1A1NPSR1
SCHEMBL550027 0.90 KDM4E (0.44) KDM4ERECQLMAPTALDH1A1NPSR1

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