SCHEMBL18768571

SCHEMBL18768571

CC(C)N(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ AR P10275 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL18768424 0.93 AKR1C3 (0.49) AKR1C3AR
SCHEMBL18768429 0.92 KDM4E (0.47) AKR1C3DRD2AR
SCHEMBL18768423 0.92 AKR1C3 (0.46) AKR1C3ARHDAC6
SCHEMBL18768624 0.90 DRD3 (0.49) DRD2DRD3
SCHEMBL18768363 0.88 AR (0.48) AKR1C3DRD2AR
SCHEMBL18768567 0.88 MDM2 (0.49) MDM2
SCHEMBL18768565 0.86 DRD2 (0.46) AKR1C3DRD2AR
SCHEMBL18768427 0.86 — —
SCHEMBL18768569 0.85 OPRM1 (0.49) DRD2DRD3
SCHEMBL18768360 0.84 AKR1C3 (0.46) AKR1C3DRD2AR

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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