SCHEMBL25900399

SCHEMBL25900399

CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)CCO3)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.72
KCNH2 Q12809 3/20 0.66
PTGDR Q13258 2/20 0.66

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
SCHEMBL25900784 0.88 SSTR5 (0.56) SSTR5KCNH2PTGDR
SCHEMBL25317829 0.87 SSTR5 (0.77) SSTR5KCNH2PTGDR
SCHEMBL670133 0.84 SSTR5 (1.00) SSTR5
SCHEMBL25437653 0.84 SSTR5 (0.71) SSTR5KCNH2PTGDR
Trifluoroacetic Acid SCHEMBL30482775 0.84 SSTR5 (0.79) SSTR5KCNH2PTGDR
Hydrochloric Acid SCHEMBL23460567 0.83 SSTR5 (0.98) SSTR5
SCHEMBL670768 0.82 SSTR5 (1.00) SSTR5KCNH2PTGDR
SCHEMBL670468 0.81 SSTR5 (1.00) SSTR5
SCHEMBL25315363 0.81 SSTR5 (0.77) SSTR5KCNH2PTGDR
SCHEMBL2599819 0.81 SSTR5 (0.84) SSTR5KCNH2

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 1 patent. 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