SCHEMBL3375359

SCHEMBL3375359

COc1ccc2c(C(=O)NC3CC4CCCCCCCCCCN(C)C(CCC4)C3)n[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.54
GSK3B P49841 9/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DYRK1A Q13627 3/20 0.43
WNT1 P04628 2/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL2086192 0.88 HTR3A (0.68) HTR3AGSK3BNPC1RAB9ADYRK1A
SCHEMBL2086190 0.88 HTR3A (0.68) HTR3AGSK3BNPC1RAB9ADYRK1A
SCHEMBL2087070 0.84 HTR3A (0.62) HTR3AGSK3BNPC1RAB9ADYRK1A
SCHEMBL2087068 0.84 HTR3A (0.62) HTR3AGSK3BNPC1RAB9ADYRK1A
SCHEMBL2087378 0.84 HTR3A (0.62) HTR3AGSK3BNPC1RAB9ADYRK1A
SCHEMBL2087708 0.81 HTR3A (0.68) HTR3AGSK3BDYRK1A
SCHEMBL2087052 0.81 HTR3A (0.68) HTR3AGSK3BDYRK1A
SCHEMBL2087354 0.78 DYRK1A (0.56) GSK3BNPC1RAB9ADYRK1AWNT1
SCHEMBL2087846 0.77 DYRK1A (0.46) GSK3BDYRK1AWNT1USP30
SCHEMBL2087377 0.77 GSK3B (0.67) HTR3AGSK3BDYRK1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP claimed