SCHEMBL18768635

SCHEMBL18768635

COc1cccc(CC(=O)N2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ PDGFRB P09619 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 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
SCHEMBL18768365 0.91 AKR1C3 (0.52) KMT2AMEN1NPC1AKR1C3SLC6A2
SCHEMBL18768629 0.88 GSK3B (0.59) KMT2AMEN1SLC6A2SLC6A4GSK3B
SCHEMBL18767961 0.86 AKR1C3 (0.57) KMT2AMEN1NPC1AKR1C3MTNR1A
SCHEMBL18768559 0.80 GSK3B (0.60) NPC1SLC6A2SLC6A4RAB9AGSK3B
SCHEMBL18767964 0.78 SLC6A2 (0.59) AKR1C3SLC6A2SLC6A4KDM4EDRD2
SCHEMBL18767313 0.78 NPC1 (0.52) KMT2AMEN1NPC1AKR1C3MTNR1A
SCHEMBL18767324 0.78 NPC1 (0.52) KMT2AMEN1NPC1AKR1C3SLC6A2
SCHEMBL18766905 0.77 KMT2A (0.54) KMT2AMEN1KDM4EMAPTSIGMAR1
SCHEMBL18768573 0.76 SLC6A2 (0.66) SLC6A2SLC6A4KDM4ENAMPTGSK3B
SCHEMBL6885051 0.76 KDM4E (0.67) AKR1C3KDM4EDRD2DRD3

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-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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