SCHEMBL21391033

SCHEMBL21391033

CC(C)(O)c1ccc2nc(CCCCC(=O)CC(C)(C)C3CC3)n(CC(F)(F)F)c2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
S1PR1 P21453 2/20 0.32
APEX1 P27695 1/20 0.31
GLP1R P43220 1/20 0.30

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
SCHEMBL21391106 0.83 HDAC1 (0.37) ACSS2
SCHEMBL21391117 0.81 POLB (0.31) APEX1
SCHEMBL21354727 0.79 ACSS2 (0.38) ACSS2S1PR1
SCHEMBL21390842 0.76 HDAC1 (0.36) ACSS2
SCHEMBL21391031 0.73
SCHEMBL21391014 0.71 MCHR1 (0.35) S1PR1
SCHEMBL21390879 0.71 MCHR1 (0.35) S1PR1
SCHEMBL21390845 0.70 HDAC1 (0.40) ACSS2
SCHEMBL21390928 0.69 HPGDS (0.36)
SCHEMBL21354717 0.68 CSNK1D (0.46) ACSS2

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