SCHEMBL29940332

SCHEMBL29940332

COC(=O)c1cnc2ccc(C3CC3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
PSMD14 O00487 1/20 0.44
PSMB5 P28074 1/20 0.41
HPGDS O60760 7/20 0.41
MAPK1 P28482 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL29277941 0.93 RXFP1 (0.44) ALOX15HTTPSMD14PSMB5HPGDS
SCHEMBL19780100 0.89 HTT (0.55) ALOX15HTTPSMB5MAPK1PDGFRB
SCHEMBL29940558 0.89 HTT (0.55) ALOX15HTTPSMB5MAPK1PDGFRB
SCHEMBL29277914 0.83 HTT (0.48) ALOX15HTTPSMB5PDGFRBPDGFRA
SCHEMBL10466162 0.82 HTT (0.67) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL1644304 0.80 MAPK1 (0.41) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL264087 0.80 PTPN11 (0.51) ALOX15HTTNPC1HSP90AA1RAB9A
SCHEMBL31250404 0.79 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL1353856 0.79 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL20118976 0.79 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed