SCHEMBL28060601

SCHEMBL28060601

CCOc1cc(C2CCC2)c(C2CC2)cc1CN1CCC(n2ccc3ncc(C(=O)O)cc3c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SSTR1 P30872 1/20 0.35
HRH2 P25021 1/20 0.34
KCNH2 Q12809 1/20 0.34
DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL16670082 0.83 SSTR5 (0.38) SSTR5TSHRSSTR1HRH2KCNH2
SCHEMBL16670601 0.81 SSTR5 (0.39) SSTR5TSHRSSTR1HRH2KCNH2
SCHEMBL28060613 0.78 HRH2 (0.36) SSTR5SSTR1HRH2
SCHEMBL16616058 0.77 SSTR5 (0.34) SSTR5TSHRSSTR1KCNH2
SCHEMBL16670319 0.77 KDM4E (0.36) SSTR5
SCHEMBL16669602 0.74 ALDH1A1 (0.41) SSTR5TSHRHRH2
SCHEMBL16670329 0.71 MEN1 (0.40) SSTR5HRH2
SCHEMBL16670334 0.71 SSTR5 (0.51) SSTR5KCNH2
SCHEMBL16683346 0.70 SSTR5 (0.44) SSTR5KCNH2
SCHEMBL16624248 0.70 SSTR5 (0.34) SSTR5SSTR1

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-105612158-A Antagonists of somatostatin receptor subtype 5 (sstr5) TAKEDA PHARMACEUTICALS CO 2016-05-25 CN disclosed