SCHEMBL6142844

SCHEMBL6142844

CC(C)(C)OC(=O)N1CCCc2c(OCCCC3CCCNC3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.43
BCHE P06276 2/20 0.43
S1PR5 Q9H228 1/20 0.41
UCHL1 P09936 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
NPY1R P25929 6/20 0.39
KMT2A Q03164 2/20 0.39
GPR119 Q8TDV5 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 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
SCHEMBL6142865 0.87 S1PR5 (0.41) HTR6BCHES1PR5HRH3NPY1R
SCHEMBL6143807 0.81 GPR119 (0.49) HRH3GPR119
SCHEMBL6143897 0.81 GPR119 (0.47) HRH3GPR119MAPT
SCHEMBL6143471 0.79 GPR119 (0.50) GPR119
SCHEMBL6109296 0.77 HRH3 (0.62) HRH3KMT2AMEN1GAAMAPT
Hydrochloric Acid SCHEMBL6109294 0.76 HRH3 (0.61) HRH3KMT2AMEN1GAAMAPT
SCHEMBL2885921 0.72 NOTUM (0.47) BCHEUCHL1KMT2AGPR119MEN1
SCHEMBL31013904 0.70 NOTUM (0.46) HTR6BCHEUCHL1GPR119
SCHEMBL2885604 0.70 UCHL1 (0.47) BCHEUCHL1KMT2AMEN1
SCHEMBL20571008 0.70 UCHL1 (0.61) BCHEUCHL1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585731-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004026837-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed