SCHEMBL25317822

SCHEMBL25317822

CCOc1ccc(C2CC2)c(CN2CC3(CC(=O)N(c4ccc(C(=O)O)cc4)C3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.53
KCNH2 Q12809 2/20 0.49
PTGDR Q13258 2/20 0.49

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
SCHEMBL25900917 0.88 SSTR5 (0.41) SSTR5KCNH2PTGDR
SCHEMBL25900412 0.86 SSTR5 (0.54) SSTR5KCNH2PTGDR
SCHEMBL25315694 0.82 SSTR5 (0.65) SSTR5KCNH2PTGDR
Trifluoroacetic Acid SCHEMBL30482780 0.82 SSTR5 (0.57) SSTR5KCNH2PTGDR
SCHEMBL25900904 0.78 SSTR5 (0.45) SSTR5KCNH2PTGDR
SCHEMBL25315693 0.76 SSTR5 (0.61) SSTR5KCNH2PTGDR
SCHEMBL25901184 0.76 SSTR5 (0.61) SSTR5KCNH2PTGDR
SCHEMBL25900612 0.76 SSTR5 (0.64) SSTR5KCNH2PTGDR
SCHEMBL25315948 0.75 SSTR5 (0.39) SSTR5KCNH2PTGDR
SCHEMBL30132025 0.75 SSTR5 (0.59) SSTR5KCNH2PTGDR

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
WO-2023125486-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed
WO-2023125486-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed