SCHEMBL3724630

SCHEMBL3724630

Cc1nc2ccccc2n1Cc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 3/20 0.57
MMP12 P39900 3/20 0.57
MMP3 P08254 2/20 0.57
MMP10 P09238 2/20 0.57
MMP8 P22894 2/20 0.57
BRD4 O60885 3/20 0.55
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH3 Q9Y5N1 3/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
PTAFR P25105 1/20 0.47
GALR3 O60755 2/20 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
SCHEMBL3724633 0.88 MMP7 (0.69) MMP7MMP12MMP3MMP10MMP8
SCHEMBL4937089 0.84 MMP7 (0.69) MMP7MMP12MMP3MMP10MMP8
SCHEMBL4937077 0.84 MMP7 (0.69) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3728686 0.84 ALDH1A1 (0.57) BRD4ALDH1A1RAB9ANPC1MAPT
SCHEMBL3809256 0.83 HRH3 (0.60) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3725967 0.83 ALDH1A1 (0.55) BRD4ALDH1A1RAB9ANPC1MAPT
SCHEMBL4937732 0.81 PTAFR (0.71) MMP7MMP12MMP3MMP10MMP8
SCHEMBL23022544 0.80 BRD4 (0.52) MMP7MMP12MMP3MMP10MMP8
SCHEMBL3805262 0.79 HRH3 (0.50) BRD4ALDH1A1RAB9ANPC1MAPT
SCHEMBL3805265 0.79 HRH3 (0.50) BRD4ALDH1A1RAB9ANPC1MAPT

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