SCHEMBL21391090

SCHEMBL21391090

CC1(n2c(CCCCC(=O)CC3CC(F)(F)C3(F)F)nc3cc(F)ccc32)CCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
TBXA2R P21731 6/20 0.33
IDH1 O75874 2/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
PTGDR2 Q9Y5Y4 7/20 0.31
PTGS1 P23219 1/20 0.30
HDAC10 Q969S8 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
SCHEMBL21390914 0.97 AGTR1 (0.35) AGTR1AGTR2TBXA2RIDH1HDAC3
SCHEMBL21390871 0.81
SCHEMBL21354576 0.79 IDH1 (0.35) IDH1
SCHEMBL21390862 0.77 AGTR1 (0.37) AGTR1AGTR2TBXA2RIDH1HDAC3
SCHEMBL21390717 0.74 ACACB (0.31)
SCHEMBL23329655 0.72 TBXA2R (0.33) TBXA2R
SCHEMBL26008187 0.71 IDH1 (0.35) IDH1
SCHEMBL21390703 0.71
SCHEMBL21391115 0.70
SCHEMBL21391166 0.68 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC2HDAC8

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