SCHEMBL550391

SCHEMBL550391

N#Cc1cccnc1N1CCCC2(CCN([C@H]3CC[C@@H](O)CC3)C2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
RECQL P46063 1/20 0.46
LCAT P04180 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
GRM1 Q13255 2/20 0.39
KCNJ1 P48048 1/20 0.38
HSD11B1 P28845 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GRM5 P41594 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL2700970 1.00 KDM4E (0.46) KDM4ERECQLLCATDPP4DPP8
SCHEMBL2700968 1.00 KDM4E (0.46) KDM4ERECQLLCATDPP4DPP8
SCHEMBL550493 1.00 KDM4E (0.46) KDM4ERECQLLCATDPP4DPP8
SCHEMBL550262 1.00 KDM4E (0.46) KDM4ERECQLLCATDPP4DPP8
SCHEMBL550492 1.00 KDM4E (0.46) KDM4ERECQLLCATDPP4DPP8
SCHEMBL550263 1.00 KDM4E (0.46) KDM4ERECQLLCATDPP4DPP8
SCHEMBL551149 0.97 KDM4E (0.47) KDM4ERECQLLCATDPP4DPP8
SCHEMBL551148 0.97 KDM4E (0.47) KDM4ERECQLLCATDPP4DPP8
SCHEMBL2699509 0.92 KDM4E (0.45) KDM4ERECQLLCATDPP4DPP8
SCHEMBL550739 0.92 KDM4E (0.45) KDM4ERECQLLCATDPP4DPP8

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