SCHEMBL18768424

SCHEMBL18768424

CC(C)N(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ AR P10275 1/20 0.48
▸ ACHE P22303 3/20 0.47
▸ BCHE P06276 2/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ HTR4 Q13639 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL18768571 0.93 AKR1C3 (0.47) AKR1C3AR
SCHEMBL18768429 0.93 KDM4E (0.47) AKR1C3SLC6A2SLC6A4ARSIGMAR1
SCHEMBL18768423 0.93 AKR1C3 (0.46) AKR1C3SLC6A4ARACHE
SCHEMBL18768624 0.91 DRD3 (0.49) ACHEBCHEMAOAMAOBBACE1
SCHEMBL18768565 0.91 DRD2 (0.46) AKR1C3SLC6A2SLC6A4ARACHE
SCHEMBL18768569 0.89 OPRM1 (0.49) ACHESIGMAR1
SCHEMBL18768363 0.89 AR (0.48) AKR1C3ARACHE
SCHEMBL18768357 0.87 ACHE (0.52) SLC6A2SLC6A4ACHEBCHEMAOA
SCHEMBL18768360 0.87 AKR1C3 (0.46) AKR1C3ARACHE
SCHEMBL18768568 0.85 ACHE (0.45) AKR1C3ARACHEBACE1

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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