SCHEMBL21390964

SCHEMBL21390964

CC(C)(O)CC(=O)CCCCc1nc2ccc(C(F)(F)F)nc2n1-c1cc(F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
TBXA2R P21731 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PTGDR2 Q9Y5Y4 4/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL21390988 0.83 PDE2A (0.32) PDE2AAGTR1AGTR2
SCHEMBL21390834 0.80 PDE4B (0.35) PDE2AIRAK4TP53
SCHEMBL19277997 0.79 PDE2A (0.38) PDE2AL3MBTL1TRPV1IRAK4TP53
SCHEMBL21390832 0.78 PDE2A (0.33) PDE2AIRAK4
SCHEMBL21390780 0.78 IRAK4 (0.31) PDE2AIRAK4
SCHEMBL21390829 0.75 CNR2 (0.38)
SCHEMBL21391146 0.75
SCHEMBL21390917 0.73 PDE2A (0.30) PDE2A
SCHEMBL19277995 0.73 PDE2A (0.36) PDE2ATRPV1IRAK4
SCHEMBL21390968 0.72 PDE2A (0.33) PDE2AIRAK4

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