SCHEMBL30148495

SCHEMBL30148495

COc1cc(C2(O)CN(C(=O)OC(C)(C)C)C2)c(OC)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.43
AXL P30530 1/20 0.43
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PDE4B Q07343 3/20 0.38
ROCK2 O75116 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
STS P08842 1/20 0.36
PDK2 Q15119 1/20 0.36
ESR2 Q92731 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
NR1H2 P55055 1/20 0.35
RORC P51449 2/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL30148527 0.86 MTNR1A (0.38) METAXLMTNR1AMTNR1BPDE4B
SCHEMBL30148491 0.85 TLR9 (0.45) METAXLMEN1KMT2A
SCHEMBL30148516 0.85 TLR9 (0.45) METAXLMEN1KMT2A
SCHEMBL30148513 0.80 MET (0.41) METAXLMTNR1AMTNR1BPDE4B
SCHEMBL30148531 0.80 STS (0.50) METAXLPDE4BROCK2STS
SCHEMBL30148522 0.80 STS (0.50) METAXLPDE4BROCK2STS
SCHEMBL17200972 0.78 SIGMAR1 (0.47) METAXLPDE4BPDK2KMT2A
SCHEMBL25308321 0.76 RORC (0.37) METAXLPDK2ESR2LMNA
SCHEMBL25262953 0.76 RORC (0.37) METAXLPDK2ESR2LMNA
SCHEMBL15156278 0.76 RORC (0.45) PDK2ESR2NR1H2RORCGPR119

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-2022221774-A1 ARYL-RING-SUBSTITUTED 3-PHENYLAZETIDINES AND THEIR USE IN METHODS FOR TREATING 5-HT2 RESPONSIVE CONDITIONS ELEUSIS THERAPEUTICS US, INC. (US) 2022-10-20 WO disclosed