SCHEMBL18768420

SCHEMBL18768420

O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2ccccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ CCR2 P41597 4/20 0.57
▸ KCNH2 Q12809 1/20 0.53
▸ CACNA1I Q9P0X4 1/20 0.53
▸ ACHE P22303 2/20 0.53
▸ BACE1 P56817 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ FAAH O00519 1/20 0.52
▸ BCHE P06276 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ DRD4 P21917 1/20 0.52

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 0.93 SLC6A2 (0.66) LMNATP53SLC6A2SLC6A4ACHE
SCHEMBL18768417 0.91 SLC6A2 (0.57) LMNATP53SLC6A2SLC6A4KCNH2
SCHEMBL18768364 0.91 LMNA (0.69) LMNATP53SLC6A2SLC6A4ACHE
SCHEMBL18768559 0.88 GSK3B (0.60) LMNATP53SLC6A2SLC6A4ACHE
SCHEMBL18768440 0.87 TP53 (0.70) LMNATP53SLC6A2SLC6A4KDM4E
SCHEMBL18768361 0.85 LMNA (0.57) LMNATP53SLC6A2SLC6A4ACHE
SCHEMBL18768421 0.83 KMT2A (0.58) LMNATP53SLC6A2SLC6A4ACHE
SCHEMBL18768629 0.83 GSK3B (0.59) LMNATP53SLC6A2SLC6A4ACHE
SCHEMBL6885051 0.82 KDM4E (0.67) HDAC6KDM4EHSD17B10HPGDDRD2
SCHEMBL18767964 0.82 SLC6A2 (0.59) SLC6A2SLC6A4KDM4EHSD17B10HPGD

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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