SCHEMBL28520528

SCHEMBL28520528

CC(C)(C)OC(=O)C1CNCCCO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 11/20 0.43
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
CTSC P53634 6/20 0.33
KCNH2 Q12809 1/20 0.33
REN P00797 1/20 0.32

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
SCHEMBL25262250 0.90 SSTR4 (0.48) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL31616040 0.81 SSTR4 (0.42) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL28056494 0.81 HPGD (0.43)
SCHEMBL15359968 0.81 HPGD (0.43)
SCHEMBL28075374 0.80 HPGD (0.42) SSTR4
SCHEMBL16975420 0.78 SSTR4 (0.44) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL30194780 0.73 SLC6A1 (0.45) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL24502684 0.73 SLC6A1 (0.45) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL25700006 0.73 SLC6A1 (0.55)
SCHEMBL160676 0.73 SLC6A1 (0.55)

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-112236428-A Antiproliferative compounds and uses thereof 默克专利股份有限公司 2021-01-15 CN disclosed