SCHEMBL3720046

SCHEMBL3720046

CC(C)(C)OC(=O)N1CCC(Nc2ccc(-n3ncc4ccccc43)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MAPT P10636 6/20 0.57
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.52
GPR119 Q8TDV5 2/20 0.51
THRB P10828 4/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 5/20 0.49
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL3724792 0.94 ALDH1A1 (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3724793 0.94 ALDH1A1 (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3720050 0.87 POLB (0.60) MAPTPOLBTHRBLMNATP53
SCHEMBL3668808 0.85 LMNA (0.49) MAPTPOLBGPR119THRBLMNA
SCHEMBL3724794 0.83 USP30 (0.56) POLBTHRBLMNA
SCHEMBL4940990 0.83 USP30 (0.56) POLBTHRBLMNA
SCHEMBL3671324 0.82 LMNA (0.46) MAPTPOLBGPR119THRBLMNA
SCHEMBL3668809 0.80 USP30 (0.57) GPR119
SCHEMBL3728686 0.80 ALDH1A1 (0.57) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL2709640 0.79 ALDH1A1 (0.74) ALDH1A1MAPTNPC1MAPK1HTT

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