SCHEMBL3725967

SCHEMBL3725967

CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cn3cnc4ccccc43)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH3 Q9Y5N1 6/20 0.51
BRD4 O60885 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FLT3 P36888 3/20 0.46
NTRK1 P04629 1/20 0.46
CSF1R P07333 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46

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
SCHEMBL3725969 0.87 HDAC1 (0.55) HRH3HDAC1HDAC6LMNAUSP30
SCHEMBL4943222 0.84 USP30 (0.56) HRH3HDAC1HDAC6USP30
SCHEMBL4943219 0.84 USP30 (0.56) HRH3HDAC1HDAC6USP30
SCHEMBL3721859 0.83 HRH3 (0.59) HTTMAPK1HRH3HDAC1HDAC6
SCHEMBL3724630 0.83 MMP7 (0.57) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL4937160 0.83 HRH3 (0.53) HTTHRH3BRD4HDAC1HDAC6
SCHEMBL3721860 0.81 HRH3 (0.66) HRH3GPR119USP30
SCHEMBL4768843 0.79 KDM4E (0.51) HTTLMNAGPR119
SCHEMBL7391868 0.79 ALDH1A1 (0.67) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL3736390 0.78 HRH3 (0.69) HRH3HDAC1HDAC6GPR119USP30

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