Sugi Predict

Sugi Predict / Compounds / SCHEMBL25317338

SCHEMBL25317338

SCHEMBL25317338

Cc1cc(C2CC2)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C3)cc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 18/20 0.47
▸ CCR5 P51681 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL30482777 1.00 SSTR5 (0.47) SSTR5CCR5MEN1ALDH1A1PKM
SCHEMBL25311447 0.89 SSTR5 (0.51) SSTR5
Trifluoroacetic Acid SCHEMBL30482781 0.85 SSTR5 (0.50) SSTR5
SCHEMBL25314552 0.78 SSTR5 (0.45) SSTR5
SCHEMBL30482788 0.78 SSTR5 (0.45) SSTR5
SCHEMBL25314682 0.77 SSTR5 (0.44) SSTR5
SCHEMBL30482795 0.77 SSTR5 (0.44) SSTR5
SCHEMBL30482783 0.77 SSTR5 (0.50) SSTR5
SCHEMBL25900692 0.77 SSTR5 (0.50) SSTR5
Water SCHEMBL18318939 0.73 SSTR5 (0.53) 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