SCHEMBL3721859

SCHEMBL3721859

CN(c1ccc(Cn2cnc3ccccc32)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.59
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GPR119 Q8TDV5 4/20 0.46
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
LMNA P02545 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TNF P01375 1/20 0.42

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
SCHEMBL3721860 0.88 HRH3 (0.66) HRH3GPR119
SCHEMBL4937165 0.84 HRH3 (0.69) HRH3GPR119HDAC1HDAC6
SCHEMBL3736390 0.84 HRH3 (0.69) HRH3GPR119HDAC1HDAC6
SCHEMBL3809256 0.83 HRH3 (0.60) HRH3MEN1KMT2AHDAC1HDAC6
SCHEMBL3725967 0.83 ALDH1A1 (0.55) HRH3GPR119HTTSMN1; SMN2CYP11B1
SCHEMBL3725969 0.81 HDAC1 (0.55) HRH3MEN1KMT2ALMNAHDAC1
SCHEMBL4768843 0.80 KDM4E (0.51) GPR119HTTLMNATSHRNPSR1
SCHEMBL4943219 0.78 USP30 (0.56) HRH3HDAC1HDAC6
SCHEMBL4943222 0.78 USP30 (0.56) HRH3HDAC1HDAC6
SCHEMBL2792425 0.78 MEN1 (0.60) MEN1KMT2AGPR119

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-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed