SCHEMBL16696344

SCHEMBL16696344

CCOc1cc(-c2ccc(C)cc2)c(C2CC2)cc1CN1CCC(n2ccc(C(N)=O)cc2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.41
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 3/20 0.35
CHEK2 O96017 2/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 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
SCHEMBL16670331 0.93 SSTR5 (0.49) SSTR5KCNH2
SCHEMBL16670334 0.86 SSTR5 (0.51) SSTR5KCNH2
SCHEMBL16670601 0.81 SSTR5 (0.39) SSTR5ALDH1A1KCNH2KDM4EMAPT
SCHEMBL16670082 0.79 SSTR5 (0.38) SSTR5KCNH2MAPT
SCHEMBL16670069 0.78 MEN1 (0.40) SSTR5ALDH1A1
SCHEMBL16683346 0.78 SSTR5 (0.44) SSTR5ALDH1A1KCNH2
SCHEMBL16670319 0.78 KDM4E (0.36) SSTR5KDM4EMAPT
SCHEMBL16669669 0.77 SSTR5 (0.50) SSTR5ALDH1A1KCNH2KDM4E
SCHEMBL16670843 0.77 SSTR5 (0.50) SSTR5KCNH2
SCHEMBL16670554 0.76 SSTR5 (0.51) 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-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed