SCHEMBL21390670

SCHEMBL21390670

CC(C)(C)CC(=O)CCCc1nc2ccc(C#N)cc2n1C1(C)CCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.35
ACSS2 Q9NR19 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
SLC22A12 Q96S37 1/20 0.31
IDH1 O75874 1/20 0.31
CYP11B2 P19099 2/20 0.31
CCR9 P51686 2/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL21390813 0.91 IDH1 (0.33) TRPV4ACSS2TLR8TLR7IDH1
SCHEMBL21390678 0.88 TRPV4 (0.32) TRPV4ACSS2TLR8TLR7SLC22A12
SCHEMBL21391043 0.86 ACSS2 (0.41) TRPV4ACSS2TLR8TLR7SLC22A12
SCHEMBL21390801 0.85 PTGDR2 (0.36) TRPV4ACSS2TLR8TLR7IDH1
SCHEMBL21390895 0.84 GPR119 (0.31)
SCHEMBL21390806 0.83 PTGDR2 (0.35) TRPV4ACSS2CYP11B2PTGDR2
SCHEMBL21390884 0.83 BRD4 (0.33) IDH1
SCHEMBL21390794 0.81
SCHEMBL21390930 0.81 HDAC3 (0.30)
SCHEMBL21354597 0.78 TRPV4 (0.38) TRPV4ACSS2IDH1

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