SCHEMBL30801149

SCHEMBL30801149

CCCCc1cc(OC)c(C2CCCN(C(=O)OC(C)(C)C)C2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.53
PDE4B Q07343 3/20 0.45
PDE4A P27815 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
SCN9A Q15858 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLS O94925 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PROKR1 Q8TCW9 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL23326155 1.00 HTR2A (0.53) HTR2APDE4BPDE4APDE4CPDE4D
SCHEMBL23214857 0.80 PDE4B (0.50) HTR2APDE4BSCN9AALDH1A1KDM4E
SCHEMBL29886238 0.80 PDE4B (0.50) HTR2APDE4BSCN9AALDH1A1KDM4E
SCHEMBL28782624 0.79 PDE4B (0.48) HTR2APDE4BSCN9AALDH1A1MEN1
SCHEMBL23348062 0.78 HTR2A (0.50) HTR2APDE4BSCN9AALDH1A1MEN1
SCHEMBL28782629 0.77 PDE4B (0.54) PDE4BSCN9AALDH1A1MEN1KMT2A
SCHEMBL23326161 0.73 HTR2A (0.56) HTR2APDE4BPDE4APDE4CPDE4D
SCHEMBL25277797 0.72 PDE4B (0.48) PDE4BSCN9APROKR1JAK2JAK1
SCHEMBL23326298 0.71 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL29775437 0.71 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DALDH1A1

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
CN-114761083-B 5-HT for treating depression 2A Agonists 罗福拉公司 2024-02-13 CN disclosed