SCHEMBL21391043

SCHEMBL21391043

CC(O)(CC(=O)CCCCc1nc2ccc(C#N)cc2n1C1(C)CCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.33
TRPV4 Q9HBA0 3/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CCR9 P51686 1/20 0.31
ALB P02768 1/20 0.31
APEX1 P27695 1/20 0.31
BRD4 O60885 1/20 0.30
APLNR P35414 1/20 0.30
ALOX5AP P20292 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
SCHEMBL21390801 0.92 PTGDR2 (0.36) ACSS2PTGDR2TRPV4TLR8TLR7
SCHEMBL21390806 0.92 PTGDR2 (0.35) ACSS2PTGDR2TRPV4
SCHEMBL21390957 0.87 NTRK1 (0.33) ACSS2APEX1
SCHEMBL21390799 0.87 PTGDR2 (0.31) PTGDR2
SCHEMBL21390797 0.87 PTGDR2 (0.31) PTGDR2
SCHEMBL21390670 0.86 TRPV4 (0.35) ACSS2PTGDR2TRPV4TLR8TLR7
SCHEMBL21390678 0.85 TRPV4 (0.32) ACSS2PTGDR2TRPV4TLR8TLR7
SCHEMBL21390820 0.85 ACSS2 (0.33) ACSS2APEX1
SCHEMBL21390813 0.83 IDH1 (0.33) ACSS2PTGDR2TRPV4TLR8TLR7
SCHEMBL21391179 0.82 ACSS2 (0.33) 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