SCHEMBL21391172

SCHEMBL21391172

CC(O)(CC(=O)CCCCc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.33
TRPV4 Q9HBA0 2/20 0.31
HDAC1 Q13547 1/20 0.31
ACACB O00763 1/20 0.31
BRD4 O60885 2/20 0.31
CREBBP Q92793 2/20 0.31
ACLY P53396 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
SCHEMBL21391061 0.90 ACSS2 (0.33) ACSS2HDAC1BRD4CREBBP
SCHEMBL21391163 0.82 CYP19A1 (0.32) ACSS2HDAC1BRD4CREBBP
SCHEMBL21390668 0.81 HDAC1 (0.35) ACSS2HDAC1
SCHEMBL21391063 0.81 HDAC1 (0.36) ACSS2HDAC1
SCHEMBL21391060 0.81 HDAC1 (0.36) ACSS2HDAC1
SCHEMBL18791989 0.80 TRPV4 (0.39) ACSS2TRPV4ACACB
SCHEMBL18791990 0.80 TRPV4 (0.39) ACSS2TRPV4ACACB
SCHEMBL20110988 0.80 TRPV4 (0.39) ACSS2TRPV4ACACB
SCHEMBL21390781 0.80 BRD4 (0.33) BRD4CREBBP
SCHEMBL21391036 0.79 HDAC1 (0.35) ACSS2HDAC1

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