SCHEMBL4737532

SCHEMBL4737532

Fc1ccc(NCc2ccc(N3CCOCC3)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.51
▸ MAPT P10636 5/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ DGAT1 O75907 1/20 0.49
▸ KCNQ3 O43525 1/20 0.48
▸ KCNQ2 O43526 1/20 0.48
▸ AOC3 Q16853 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ AURKA O14965 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ CSF1R P07333 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
SCHEMBL22279048 0.94 GAA (0.55) GAAMAPTRAB9ANPC1L3MBTL1
SCHEMBL3058922 0.85 HRH4 (0.53) GAAMAPTRAB9AL3MBTL1KDM4E
SCHEMBL4738295 0.85 BPTF (0.51) GAAMAPTL3MBTL1KDM4EALOX12
SCHEMBL1845770 0.84 MAPT (0.70) GAAMAPTRAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL3826981 0.84 HRH4 (0.52) GAAMAPTRAB9AL3MBTL1KDM4E
SCHEMBL3063613 0.82 DRD2 (0.54) GAAL3MBTL1KDM4EAURKAABL1
SCHEMBL22279049 0.81 P4HTM (0.51) GAAMAPTL3MBTL1KDM4EALOX12
SCHEMBL22279043 0.80 P4HTM (0.50) GAAMAPTL3MBTL1KDM4EALOX12
SCHEMBL22279054 0.80 KDM4E (0.57) GAAMAPTRAB9ANPC1L3MBTL1
SCHEMBL2449960 0.79 RAB9A (0.70) GAAMAPTRAB9ANPC1L3MBTL1

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
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