SCHEMBL21390988

SCHEMBL21390988

C=C(C)c1ccc(-n2c(CCCC(=O)CC(C)(C)O)nc3ccc(C(F)(F)F)nc32)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL21390964 0.83 PDE2A (0.35) PDE2AAGTR1AGTR2
SCHEMBL21390834 0.79 PDE4B (0.35) PDE2A
SCHEMBL21390833 0.77 MEN1 (0.30)
SCHEMBL21390832 0.72 PDE2A (0.33) PDE2A
SCHEMBL21390780 0.71 IRAK4 (0.31) PDE2A
SCHEMBL21390829 0.69 CNR2 (0.38)
SCHEMBL19277995 0.69 PDE2A (0.36) PDE2A
SCHEMBL21391146 0.69
SCHEMBL21390963 0.68 PDE2A (0.31) PDE2A
SCHEMBL21390968 0.66 PDE2A (0.33) PDE2A

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