SCHEMBL21391070

SCHEMBL21391070

COc1ccc2nc(CCCCC(=O)CC(O)(CF)CF)n(C3CCC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.36
PDE10A Q9Y233 14/20 0.35
HDAC1 Q13547 4/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PDE2A O00408 1/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
PDE7B Q9NP56 1/20 0.31

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
SCHEMBL21391073 0.90 PDE10A (0.37) CYP11B2PDE10APIK3CAMTORPDE2A
SCHEMBL21391130 0.89 CYP11B2 (0.38) CYP11B2PDE10AHDAC1PIK3CAMTOR
SCHEMBL21391006 0.86 CYP11B2 (0.36) CYP11B2
SCHEMBL21391012 0.85 CYP11B1 (0.32) CYP11B2
SCHEMBL21391072 0.82 PDE10A (0.34) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21391124 0.82 HTR3E (0.35) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21390783 0.81 ACACB (0.42)
SCHEMBL21391131 0.81 CYP11B2 (0.37) CYP11B2PDE10APIK3CAMTORPDE2A
SCHEMBL19278023 0.78 CYP11B2 (0.39) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21391075 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