SCHEMBL7923258

SCHEMBL7923258

COC(=O)N1CCCC[C@H]1Cc1cn2ccc(C)c(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
METTL3 Q86U44 1/20 0.34
DAGLB Q8NCG7 2/20 0.33
DAGLA Q9Y4D2 1/20 0.33
HSD11B1 P28845 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL2538398 0.89 PDE8B (0.42) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL2513353 0.79 HCRTR1 (0.45) TSHRKMT2A
SCHEMBL8160273 0.79 KDM4E (0.51) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL7923409 0.79 KDM4E (0.39) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL2509592 0.79 HCRTR2 (0.42) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL2489210 0.79 HCRTR2 (0.42) TSHRKMT2A
SCHEMBL2489214 0.79 HCRTR2 (0.42) TSHRKMT2A
Hydrochloric Acid SCHEMBL2533566 0.79 HCRTR1 (0.44) TSHRKMT2A
Hydrochloric Acid SCHEMBL2536527 0.78 HCRTR2 (0.42) KDM4EHPGDHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL2490041 0.78 HCRTR2 (0.41) TSHRKMT2AJAK2JAK1

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