SCHEMBL18768552

SCHEMBL18768552

COc1ccccc1CN1CCC(CNC(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.56
▸ BACE1 P56817 1/20 0.56
▸ TP53 P04637 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ DRD4 P21917 6/20 0.55
▸ DRD2 P14416 4/20 0.55
▸ CXCR4 P61073 3/20 0.54
▸ DRD3 P35462 5/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ HTR1A P08908 2/20 0.51
▸ ALPL P05186 2/20 0.50
▸ ALPI P09923 2/20 0.50
▸ ALPG P10696 2/20 0.50
▸ HTR2A P28223 1/20 0.50

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
SCHEMBL18768440 0.85 TP53 (0.70) TP53LMNATHRBDRD2CXCR4
SCHEMBL18768421 0.85 KMT2A (0.58) ACHETP53LMNATHRBSLC6A2
SCHEMBL18768559 0.85 GSK3B (0.60) ACHEBACE1TP53LMNADRD4
SCHEMBL18768629 0.83 GSK3B (0.59) ACHEBACE1TP53LMNADRD4
SCHEMBL18768573 0.83 SLC6A2 (0.66) ACHEBACE1TP53LMNADRD4
SCHEMBL18768364 0.82 LMNA (0.69) ACHEBACE1TP53LMNADRD4
SCHEMBL18768626 0.81 MEN1 (0.46) ACHECXCR4
SCHEMBL18767964 0.81 SLC6A2 (0.59) DRD2DRD3SLC6A2SLC6A4
SCHEMBL18768420 0.81 LMNA (0.57) ACHEBACE1TP53LMNADRD4
SCHEMBL6661461 0.80 ROCK2 (0.59) DRD4DRD2DRD3

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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