SCHEMBL21390981

SCHEMBL21390981

CCC(O)(CC)CC(=O)CCCCc1nc2ccc(C(F)(F)F)nc2n1C1(C)CCC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL21391146 0.91
SCHEMBL21390919 0.89 PDE2A (0.30) PDE2APDE10A
SCHEMBL21390831 0.88
SCHEMBL21390828 0.86
SCHEMBL21391049 0.84
SCHEMBL21390784 0.84
SCHEMBL21391145 0.83 PDE2A (0.32) PDE2A
SCHEMBL21390963 0.78 PDE2A (0.31) PDE2APDE10A
SCHEMBL19278012 0.78 IRAK4 (0.31) PDE2APDE10A
SCHEMBL21391005 0.77

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