SCHEMBL21390801

SCHEMBL21390801

CC1(n2c(CCCCC(=O)C[C@@](C)(O)c3ccc(F)cc3)nc3ccc(C#N)cc32)CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.36
TRPV4 Q9HBA0 4/20 0.34
ACSS2 Q9NR19 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
IDH1 O75874 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
GPR6 P46095 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CNR1 P21554 1/20 0.30
CCR9 P51686 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
SCHEMBL21391043 0.92 ACSS2 (0.41) PTGDR2TRPV4ACSS2TLR8TLR7
SCHEMBL21390806 0.92 PTGDR2 (0.35) PTGDR2TRPV4ACSS2CYP11B1CYP11B2
SCHEMBL21390670 0.85 TRPV4 (0.35) PTGDR2TRPV4ACSS2CYP11B2IDH1
SCHEMBL21390678 0.84 TRPV4 (0.32) PTGDR2TRPV4ACSS2CYP11B1CYP11B2
SCHEMBL21390813 0.84 IDH1 (0.33) PTGDR2TRPV4ACSS2IDH1TLR8
SCHEMBL21390957 0.82 NTRK1 (0.33) ACSS2HCRTR1HCRTR2
SCHEMBL21390797 0.82 PTGDR2 (0.31) PTGDR2
SCHEMBL21390799 0.82 PTGDR2 (0.31) PTGDR2
SCHEMBL21390959 0.81 TRPV4 (0.39) TRPV4CYP11B1CYP11B2IDH1
SCHEMBL21390800 0.81 TRPV4 (0.39) TRPV4CYP11B1CYP11B2IDH1

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