SCHEMBL30148491

SCHEMBL30148491

COc1cc(Br)c(OCc2ccccc2)cc1C1(O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.45
TLR7 Q9NYK1 2/20 0.45
ABCB1 P08183 2/20 0.43
PTPN1 P18031 2/20 0.43
MET P08581 1/20 0.41
AXL P30530 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
YAP1 P46937 2/20 0.39
SLC2A1 P11166 1/20 0.38
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 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
SCHEMBL30148516 0.96 TLR9 (0.45) TLR9TLR7ABCB1PTPN1MET
SCHEMBL30148495 0.85 MET (0.43) METAXLMEN1KMT2A
SCHEMBL30148536 0.84 SLC2A1 (0.47) TLR9TLR7METAXLHDAC8
SCHEMBL30148507 0.84 YAP1 (0.45) TLR9TLR7METAXLYAP1
SCHEMBL30148537 0.83 TLR9 (0.43) TLR9TLR7METAXLNPC1
SCHEMBL2475638 0.80 YAP1 (0.46) TLR9TLR7YAP1SLC2A1
SCHEMBL31166827 0.80 YAP1 (0.46) TLR9TLR7YAP1SLC2A1
SCHEMBL30148527 0.76 MTNR1A (0.38) METAXLMEN1KMT2A
SCHEMBL17200972 0.75 SIGMAR1 (0.47) METAXLAPPKMT2A
SCHEMBL15156278 0.74 RORC (0.45) HDAC1HDAC8HDAC6PKM

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