SCHEMBL21391131

SCHEMBL21391131

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
PDE10A Q9Y233 15/20 0.37
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
PDE7B Q9NP56 1/20 0.33
ACACB O00763 1/20 0.33

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 0.87 CYP11B2 (0.38) CYP11B2PDE10APIK3CAMTORPDE2A
SCHEMBL21390713 0.86 CYP11B2 (0.36) CYP11B2TP53ALDH1A1TSHRHSD17B10
SCHEMBL21391073 0.83 PDE10A (0.37) CYP11B2PDE10APIK3CAMTORPDE2A
SCHEMBL21391072 0.81 PDE10A (0.34) CYP11B2PDE10AALDH1A1PIK3CAMTOR
SCHEMBL21391123 0.81 CYP11B1 (0.39) CYP11B2TP53ALDH1A1TSHRHSD17B10
SCHEMBL21391124 0.81 HTR3E (0.35) CYP11B2PDE10AALDH1A1TSHRHSD17B10
SCHEMBL21391070 0.81 CYP11B2 (0.36) CYP11B2PDE10APIK3CAMTORPDE2A
SCHEMBL21390941 0.80 CYP11B2 (0.33) CYP11B2PDE10APIK3CAMTOR
SCHEMBL16084166 0.77 CYP11B2 (0.39) CYP11B2PDE10ATP53ALDH1A1PIK3CA
SCHEMBL21390950 0.74 CYP11B2 (0.36) CYP11B2PIK3CA

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