SCHEMBL25314682

SCHEMBL25314682

CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C3)c(C2CC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.44
KCNH2 Q12809 2/20 0.39
PTGDR Q13258 2/20 0.39
DGAT2 Q96PD7 1/20 0.37

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
SCHEMBL30482795 1.00 SSTR5 (0.44) SSTR5KCNH2PTGDRDGAT2
SCHEMBL25311447 0.88 SSTR5 (0.51) SSTR5KCNH2PTGDR
Trifluoroacetic Acid SCHEMBL30482781 0.85 SSTR5 (0.50) SSTR5KCNH2PTGDR
SCHEMBL30482788 0.84 SSTR5 (0.45) SSTR5KCNH2PTGDR
SCHEMBL25314552 0.84 SSTR5 (0.45) SSTR5KCNH2PTGDR
SCHEMBL30482783 0.80 SSTR5 (0.50) SSTR5KCNH2PTGDR
SCHEMBL25900692 0.80 SSTR5 (0.50) SSTR5KCNH2PTGDR
SCHEMBL25314222 0.79 SSTR5 (0.40) SSTR5
SCHEMBL30482777 0.77 SSTR5 (0.47) SSTR5
SCHEMBL25317338 0.77 SSTR5 (0.47) SSTR5

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