SCHEMBL6142865

SCHEMBL6142865

CC(C)(C)OC(=O)N1CCCc2cccc(OCCCC3CCCNC3)c21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.41
NPY1R P25929 8/20 0.38
GPR119 Q8TDV5 4/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
BCHE P06276 1/20 0.36
HTR6 P50406 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL6142844 0.87 HTR6 (0.43) S1PR5NPY1RGPR119KMT2AMEN1
SCHEMBL6152212 0.81 TSHR (0.45) S1PR5NPY1RKMT2AMEN1LMNA
SCHEMBL6143807 0.81 GPR119 (0.49) GPR119HRH3
SCHEMBL6143897 0.81 GPR119 (0.47) GPR119MAPTHRH3
SCHEMBL6110825 0.78 HRH3 (0.61) KMT2AMEN1GAAMAPTHRH3
SCHEMBL6143471 0.76 GPR119 (0.50) GPR119
SCHEMBL31139409 0.74 MEN1 (0.46) KMT2AMEN1LMNAGAAMAPT
SCHEMBL6108617 0.70 P2RX1 (0.50) KMT2AMEN1MAPTNPSR1HSD11B1
SCHEMBL16593635 0.70 NOTUM (0.41) KMT2AMEN1
SCHEMBL3500072 0.69 MEN1 (0.40) KMT2AMEN1

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