SCHEMBL21391162

SCHEMBL21391162

CC(C)(O)c1cc(F)c2nc(CCCCC(=O)CC(C)(O)c3ccccc3)n(C3(C)CCC3)c2c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.31

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
SCHEMBL21390932 0.85
SCHEMBL21390957 0.83 NTRK1 (0.33) ACSS2
SCHEMBL21391163 0.83 CYP19A1 (0.32) ACSS2
SCHEMBL21390797 0.81 PTGDR2 (0.31)
SCHEMBL21390799 0.81 PTGDR2 (0.31)
SCHEMBL20111237 0.80 ACSS2 (0.35) ACSS2
SCHEMBL18791658 0.80 ACSS2 (0.35) ACSS2
SCHEMBL21390820 0.79 ACSS2 (0.33) ACSS2
SCHEMBL21391113 0.78
SCHEMBL21391083 0.78

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed