SCHEMBL30028985

SCHEMBL30028985

COc1nc(Br)ccc1CCl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 12/20 0.36
CD274 Q9NZQ7 12/20 0.36
ALDH1A1 P00352 2/20 0.36
GFER P55789 2/20 0.36
CCR4 P51679 6/20 0.33
CCR5 P51681 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL31275212 0.82 GABRA1 (0.35) PDCD1LG2CD274CCR4CCR5
SCHEMBL1848182 0.82 POLB (0.46) PDCD1LG2CD274ALDH1A1GFERMAPT
SCHEMBL29555593 0.81 CD274 (0.40) PDCD1LG2CD274ALDH1A1
SCHEMBL22690952 0.81 CD274 (0.40) PDCD1LG2CD274ALDH1A1
SCHEMBL29370691 0.78 PDCD1LG2 (0.44) PDCD1LG2CD274ALDH1A1GFER
SCHEMBL5781489 0.78 APOBEC3A (0.44) PDCD1LG2CD274ALDH1A1GFERCCR5
SCHEMBL16419630 0.78 PDCD1LG2 (0.44) PDCD1LG2CD274ALDH1A1GFER
Hydrochloric Acid SCHEMBL28949992 0.77 PDCD1LG2 (0.43) PDCD1LG2CD274ALDH1A1GFER
SCHEMBL22690173 0.76 S1PR4 (0.38) PDCD1LG2CD274ALDH1A1GFERLMNA
SCHEMBL2416576 0.74 CCR4 (0.41) ALDH1A1CCR4CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271674-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
EP-4271672-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225914-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed
WO-2022225941-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed