SCHEMBL21391073

SCHEMBL21391073

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.37
CYP11B2 P19099 1/20 0.36
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ACACB O00763 1/20 0.33
PDE2A O00408 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
PDE7B Q9NP56 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
SCHEMBL21391130 0.91 CYP11B2 (0.38) PDE10ACYP11B2PIK3CAMTORPDE2A
SCHEMBL21390783 0.91 ACACB (0.42) ACACB
SCHEMBL21391070 0.90 CYP11B2 (0.36) PDE10ACYP11B2PIK3CAMTORPDE2A
SCHEMBL21391072 0.87 PDE10A (0.34) PDE10ACYP11B2PIK3CAMTOR
SCHEMBL21391131 0.83 CYP11B2 (0.37) PDE10ACYP11B2PIK3CAMTORACACB
SCHEMBL21391124 0.83 HTR3E (0.35) PDE10ACYP11B2PIK3CAMTOR
SCHEMBL21390977 0.81 GBA1 (0.37) PIK3CA
SCHEMBL21390950 0.79 CYP11B2 (0.36) CYP11B2PIK3CA
SCHEMBL21391009 0.78 CYP11B2 (0.34) CYP11B2
SCHEMBL21390920 0.78 RORC (0.33) PIK3CA

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