SCHEMBL4453658

SCHEMBL4453658

CCC(c1ccncc1N)N1CCC(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
NEK2 P51955 2/20 0.38
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
PLK1 P53350 1/20 0.36
NEK1 Q96PY6 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 2/20 0.35
GLA P06280 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
SCHEMBL14515118 0.80 OPRM1 (0.41) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL8557410 0.72 L3MBTL1 (0.51) KDM4EALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL17262676 0.72 KDM4E (0.44) KDM4EKMT2AMAPTTHRBCYP2C19
SCHEMBL15769958 0.71 NEK2 (0.51) KDM4ENEK2ALDH1A1KMT2AMEN1
SCHEMBL25273521 0.71 PPARG (0.42) KDM4EHSD17B10ACKR3SMN1; SMN2
SCHEMBL13003360 0.71 L3MBTL1 (0.50) KDM4ENEK2L3MBTL1
SCHEMBL3297456 0.70 L3MBTL1 (0.49) KDM4ENEK2L3MBTL1
SCHEMBL493277 0.69 KDM4E (0.46) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL14515115 0.67 LTA4H (0.52) KDM4EALDH1A1KMT2AHSD17B10CYP2C19
SCHEMBL8558345 0.66 KDM4E (0.40) KDM4ENEK2ALDH1A1KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755974-A1 NEW ENZYME INHIBITOR COMPOUNDS Proximagen Limited (GB) 2014-07-23 EP disclosed
WO-2013037411-A1 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2013-03-21 WO disclosed
EP-2136805-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2009-12-30 EP disclosed
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 WO disclosed