SCHEMBL30031003

SCHEMBL30031003

Brc1cccc(OCc2ccc(C3CC3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.39
ENPP2 Q13822 2/20 0.36
TRPV6 Q9H1D0 2/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
TEAD1 P28347 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ESR2 Q92731 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TRPV3 Q8NET8 1/20 0.32

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
SCHEMBL5183 0.79 HTR7 (0.51) HTR7MAOBTRPV3
SCHEMBL29574709 0.79 HTR7 (0.51) HTR7MAOBTRPV3
SCHEMBL24321907 0.79 KDM5A (0.41) HTR7KDM5AKDM4CKDM5B
SCHEMBL8726267 0.78 MAOB (0.51) HTR7MAOBMEN1KMT2ALMNA
SCHEMBL30493343 0.77 KDM5A (0.40) MRGPRX4TRPV6KDM5AKDM4CKDM5B
SCHEMBL23286947 0.75 MAOB (0.48) HTR7MRGPRX4MAOBKMT2A
SCHEMBL29737927 0.75 MAOB (0.49) HTR7MAOBCYP3A4
SCHEMBL23286880 0.75 MAOB (0.49) HTR7MAOBCYP3A4
SCHEMBL9598308 0.74 RAB9A (0.48) HTR7MRGPRX4MAOB
SCHEMBL22391931 0.72 HTR7 (0.42) HTR7MAOBMEN1KMT2ALMNA

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-4271672-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225941-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed