SCHEMBL3237347

SCHEMBL3237347

O=C(CN1C(=O)COc2cc(Br)cnc21)N1CCc2ccc(OCc3ccccc3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 2/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2D6 P10635 3/20 0.38
HRH1 P35367 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3120660 0.89 GAA (0.49) GAATSHRMAPTTDP1HRH3
SCHEMBL3249745 0.88 GAA (0.49) GAATSHRMAPTTDP1L3MBTL1
SCHEMBL3126815 0.86 GAA (0.51) GAATSHRMAPTTDP1L3MBTL1
SCHEMBL3119103 0.81 GAA (0.42) GAATSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL3241489 0.77 TSHR (0.46) GAATSHRMAPTTDP1HPGD
SCHEMBL3248197 0.77 TSHR (0.46) GAATSHRMAPTTDP1HPGD
SCHEMBL3252753 0.76 TSHR (0.44) GAATSHRMAPTTDP1HPGD
SCHEMBL13521588 0.76 TSHR (0.52) GAATSHRMAPTL3MBTL1CYP2D6
SCHEMBL3236789 0.76 GAA (0.55) GAATSHRMAPTHPGDSMN1; SMN2
SCHEMBL13521713 0.75 TSHR (0.44) GAATSHRMAPTTDP1HPGD

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
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO claimed