SCHEMBL21390754

SCHEMBL21390754

CC(C)(O)CC(=O)CCCCc1nc2c(C(F)(F)F)ccnc2n1C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CNR2 P34972 1/20 0.30
POLB P06746 1/20 0.30
PDE2A O00408 1/20 0.30
PDE5A O76074 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE3A Q14432 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
SCHEMBL21390758 0.90 HTR3A (0.31) NOS1NOS2
SCHEMBL21391168 0.81 RORC (0.35)
SCHEMBL21390920 0.79 RORC (0.33)
SCHEMBL21391137 0.79 AGTR2 (0.34) PDE2APDE5APDE1BPDE4BPDE4D
SCHEMBL19276123 0.77 NOS1 (0.34) NOS1NOS2CNR2POLBPDE4B
SCHEMBL21390857 0.77 RORC (0.32)
SCHEMBL21390774 0.76 RORC (0.41) POLB
SCHEMBL21391074 0.76 RORC (0.30)
SCHEMBL21391064 0.75 RORC (0.37)
SCHEMBL21391073 0.75 PDE10A (0.37) PDE2APDE5APDE4DPDE7APDE3A

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