SCHEMBL21390941

SCHEMBL21390941

COc1ccc2nc(CCCC(=O)CC3CCCC(C)(C)O3)n(C3CCC3)c2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
PDE10A Q9Y233 7/20 0.32
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL21390992 0.85 PDE4B (0.39)
SCHEMBL21390972 0.85 PDE4B (0.39)
SCHEMBL16084327 0.80 CYP11B2 (0.34) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21391130 0.80 CYP11B2 (0.38) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21391131 0.80 CYP11B2 (0.37) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21390985 0.78 PDE4B (0.39)
SCHEMBL21391073 0.76 PDE10A (0.37) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21391072 0.75 PDE10A (0.34) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21391070 0.74 CYP11B2 (0.36) CYP11B2PDE10APIK3CAMTOR
SCHEMBL21391124 0.74 HTR3E (0.35) CYP11B2PDE10APIK3CAMTOR

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