SCHEMBL29958282

SCHEMBL29958282

O=C(O)Cc1cc(Cl)ccc1-c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
CXCL8 P10145 1/20 0.37
CHRM1 P11229 1/20 0.37
HSD11B1 P28845 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
SUCNR1 Q9BXA5 2/20 0.36
KDM4E B2RXH2 2/20 0.35
DRD2 P14416 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
SHMT1 P34896 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27033973 1.00 CYP2C9 (0.37) CYP2C9CXCL8CHRM1HSD11B1AGTR1
SCHEMBL30711691 0.92 SUCNR1 (0.36) CYP2C9CXCL8CHRM1AGTR1AGTR2
SCHEMBL29174269 0.92 SUCNR1 (0.36) CYP2C9CXCL8CHRM1AGTR1AGTR2
SCHEMBL27033350 0.91 AGTR1 (0.35) CYP2C9HSD11B1AGTR1AGTR2SHMT1
SCHEMBL30711683 0.91 AGTR1 (0.35) CYP2C9HSD11B1AGTR1AGTR2SHMT1
SCHEMBL27033759 0.88 MAPT (0.36) HSD11B1AGTR1AGTR2KDM4ESHMT1
SCHEMBL1197446 0.85 AGTR1 (0.36) CYP2C9HSD11B1AGTR1AGTR2KDM4E
SCHEMBL27724819 0.83 AGTR1 (0.37) CYP2C9HSD11B1AGTR1AGTR2KDM4E
SCHEMBL29174287 0.81 MEN1 (0.33) AGTR1AGTR2KDM4ESHMT1ALDH1A1
SCHEMBL29174268 0.81 KLK7 (0.34) CYP2C9AGTR1AGTR2SHMT1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed