SCHEMBL21390821

SCHEMBL21390821

CC(C)(C)CC(=O)CCCCc1nc2c(F)cc(OC(F)F)cc2n1C1(C)CCC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL21391182 0.97 PDE2A (0.31) PDE2APDE10AALOX5AP
SCHEMBL21391068 0.94 PDE2A (0.30) PDE2APDE10A
SCHEMBL21390884 0.84 BRD4 (0.33) ALOX5AP
SCHEMBL21391053 0.84 ALOX5AP (0.32) ALOX5AP
SCHEMBL21390794 0.83
SCHEMBL21390922 0.80 ALOX5AP (0.31) ALOX5AP
SCHEMBL21390672 0.79 BRD4 (0.34) PDE2APDE10A
SCHEMBL30315545 0.79 KCNQ2 (0.32) PDE2APDE10A
SCHEMBL21354720 0.79 KCNQ2 (0.32) PDE2APDE10A
SCHEMBL21390820 0.77 ACSS2 (0.33)

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