SCHEMBL18768417

SCHEMBL18768417

O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ TP53 P04637 5/20 0.56
▸ MAPT P10636 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HTT P42858 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ BACE1 P56817 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
SCHEMBL18768573 0.92 SLC6A2 (0.66) SLC6A2SLC6A4TP53HDAC3HDAC4
SCHEMBL18768420 0.91 LMNA (0.57) SLC6A2SLC6A4TP53HDAC6ACHE
SCHEMBL18768361 0.89 LMNA (0.57) SLC6A2SLC6A4TP53HDAC3HDAC4
SCHEMBL18768364 0.86 LMNA (0.69) SLC6A2SLC6A4TP53MAPTHDAC3
SCHEMBL18768629 0.86 GSK3B (0.59) SLC6A2SLC6A4TP53ACHEBACE1
SCHEMBL18768440 0.84 TP53 (0.70) SLC6A2SLC6A4TP53LMNADRD2
SCHEMBL18768559 0.84 GSK3B (0.60) SLC6A2SLC6A4TP53ACHEBACE1
SCHEMBL18768421 0.80 KMT2A (0.58) SLC6A2SLC6A4TP53SMN1; SMN2ACHE
SCHEMBL6885051 0.80 KDM4E (0.67) MAPK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18767964 0.79 SLC6A2 (0.59) SLC6A2SLC6A4MAPK1DRD2

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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