SCHEMBL7923409

SCHEMBL7923409

COC(=O)N1CCCC[C@H]1Cc1cn2cc(C)c(C)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
METTL3 Q86U44 1/20 0.38
DAGLB Q8NCG7 4/20 0.36
HCRTR2 O43614 3/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2512853 0.90 METTL3 (0.45) KDM4EALDH1A1HPGDPOLBMETTL3
SCHEMBL3470831 0.88 ALDH1A1 (0.39) KDM4EALDH1A1HPGDPOLBDAGLB
SCHEMBL8160273 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDMETTL3HCRTR2
SCHEMBL7923258 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDPOLBMETTL3
SCHEMBL2490542 0.76 HCRTR2 (0.43) POLBHCRTR2HCRTR1
SCHEMBL2512317 0.76 PDE8B (0.42) KDM4EALDH1A1HPGDMETTL3LMNA
Hydrochloric Acid SCHEMBL2511444 0.75 HCRTR2 (0.43) POLBHCRTR2HCRTR1
SCHEMBL12225864 0.74 PDE8B (0.43) KDM4EALDH1A1HPGDMETTL3HCRTR2
SCHEMBL2120295 0.74 TLR9 (0.45) KDM4EMETTL3DAGLBHCRTR1RAB9A
SCHEMBL4166535 0.73 DAGLB (0.43) KDM4EALDH1A1HPGDPOLBMETTL3

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
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed