SCHEMBL18768559

SCHEMBL18768559

COc1ccc(CN2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.60
▸ DRD4 P21917 2/20 0.60
▸ DRD2 P14416 1/20 0.60
▸ ACHE P22303 6/20 0.59
▸ BACE1 P56817 1/20 0.59
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ FAAH O00519 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ SLC6A2 P23975 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53

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
SCHEMBL18768629 0.91 GSK3B (0.59) GSK3BDRD4DRD2ACHEBACE1
SCHEMBL18768573 0.89 SLC6A2 (0.66) GSK3BDRD4DRD2ACHEBACE1
SCHEMBL18768420 0.88 LMNA (0.57) DRD4DRD2ACHEBACE1FAAH
SCHEMBL18768364 0.87 LMNA (0.69) DRD4DRD2ACHEBACE1LMNA
SCHEMBL18768365 0.87 AKR1C3 (0.52) LMNASLC6A2SLC6A4NPC1RAB9A
SCHEMBL18768552 0.85 ACHE (0.56) DRD4DRD2ACHEBACE1LMNA
SCHEMBL18767313 0.84 NPC1 (0.52) LMNANPC1RAB9A
SCHEMBL18767324 0.84 NPC1 (0.52) GSK3BDRD2SLC6A2SLC6A4NPC1
SCHEMBL18768417 0.84 SLC6A2 (0.57) DRD4DRD2ACHEBACE1LMNA
SCHEMBL18768425 0.82 MEN1 (0.51) DRD4DRD2ACHEBACE1MAOA

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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