SCHEMBL21390813

SCHEMBL21390813

CC1(n2c(CCCC(=O)CC(C)(C)C(F)(F)F)nc3ccc(C#N)cc32)CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
TLR8 Q9NR97 2/20 0.33
TRPV4 Q9HBA0 5/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
GPR6 P46095 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL21390670 0.91 TRPV4 (0.35) IDH1TLR7TLR8TRPV4ACSS2
SCHEMBL21390678 0.85 TRPV4 (0.32) TLR7TLR8TRPV4ACSS2PTGDR2
SCHEMBL21390801 0.84 PTGDR2 (0.36) IDH1TLR7TLR8TRPV4ACSS2
SCHEMBL21391043 0.83 ACSS2 (0.41) TLR7TLR8TRPV4ACSS2PTGDR2
SCHEMBL21391032 0.83
SCHEMBL21390806 0.82 PTGDR2 (0.35) TRPV4ACSS2PTGDR2
SCHEMBL21390676 0.80
SCHEMBL30315570 0.80 IDH1 (0.37) IDH1TRPV4ACSS2GPR6
SCHEMBL21354579 0.80 IDH1 (0.37) IDH1TRPV4ACSS2GPR6
SCHEMBL21391059 0.77

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