SCHEMBL29939719

SCHEMBL29939719

CCOc1cc(CN2CCC(F)(COc3ccc(C(=O)O)cc3)CC2)cc(OCC)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.72
KCNH2 Q12809 2/20 0.72
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL29940202 0.85 SSTR5 (0.71) SSTR5KCNH2
SCHEMBL29940229 0.84 SSTR5 (1.00) SSTR5KCNH2
SCHEMBL29940236 0.81 SSTR5 (0.59) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL29940329 0.81 SSTR5 (0.69) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL29940320 0.80 SSTR5 (0.79) SSTR5KCNH2
SCHEMBL29940060 0.74 SSTR5 (1.00) SSTR5KCNH2
SCHEMBL29939992 0.74 SSTR5 (1.00) SSTR5KCNH2
SCHEMBL2341863 0.71 SSTR5 (0.60) SSTR5KCNH2PKMMAPK1KDM4E
SCHEMBL28336722 0.71 SCN9A (0.54) SSTR5KCNH2
SCHEMBL2419046 0.71 SSTR5 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215787-A Somatostatin receptor 5 antagonists and uses thereof 中国科学院上海药物研究所 2022-10-21 CN disclosed