SCHEMBL18768595

SCHEMBL18768595

CCN(CC1CCN(C(C)(C)c2cc3ccccc3o2)CC1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.45
▸ FLT3 P36888 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ BCHE P06276 1/20 0.38

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
SCHEMBL18767977 0.90 BCHE (0.44) AKR1C3FLT3HRH4TRPM8BCHE
SCHEMBL18767441 0.89 AKR1C3 (0.43) AKR1C3
SCHEMBL18768593 0.89 AKR1C3 (0.44) AKR1C3FLT3HRH4BCHE
SCHEMBL18768177 0.86 FLT3 (0.44) AKR1C3FLT3
SCHEMBL18768455 0.83 BCHE (0.42) AKR1C3FLT3HRH4BCHE
SCHEMBL18768598 0.81 AKR1C3 (0.46) AKR1C3FLT3
SCHEMBL18768433 0.80 HRH4 (0.57) AKR1C3HRH4
SCHEMBL18767864 0.80 AKR1C3 (0.48) AKR1C3
SCHEMBL18768585 0.80 AKR1C3 (0.50) AKR1C3HRH4
SCHEMBL18768402 0.78 AKR1C3 (0.52) AKR1C3HRH4

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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