SCHEMBL21391044

SCHEMBL21391044

CC(C)(C)n1c(CCCCC(=O)CC(O)(CF)CF)nc2cc(Cl)c(Cl)nc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
ACLY P53396 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
SCHEMBL21391056 0.82
SCHEMBL21391045 0.80 ACLY (0.30) ACLY
SCHEMBL21391071 0.76
SCHEMBL19277843 0.75 KRAS (0.33)
SCHEMBL21390751 0.74 CCR9 (0.32) ACLY
SCHEMBL21390953 0.69 CCR9 (0.33) AGTR1AGTR2
SCHEMBL21390951 0.69 CCR9 (0.33) AGTR1AGTR2
SCHEMBL21390963 0.69 PDE2A (0.31)
SCHEMBL21390968 0.69 PDE2A (0.33)
SCHEMBL21390770 0.68 ALDH1A1 (0.31)

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