SCHEMBL31151891

SCHEMBL31151891

COc1cc2c(cc1OCc1ccccc1)NC[C@@H]1C[C@H](OC)CN1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.45
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
CHRNA7 P36544 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
APP P05067 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL31151968 1.00 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31151972 0.89 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31151962 0.89 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31152007 0.88 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31151953 0.88 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31151955 0.86 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31151920 0.86 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31151987 0.83 MEN1 (0.43) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31151945 0.83 MEN1 (0.43) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL31151991 0.83 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DTDP1

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-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed