SCHEMBL21042935

SCHEMBL21042935

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)O)c(N)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.44
KCNH2 Q12809 1/20 0.44
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PPM1B O75688 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL15539161 0.90 RARA (0.54) SSTR5KCNH2RARARARBCHRM2
SCHEMBL15538196 0.87 SSTR5 (0.43) SSTR5KCNH2RARARARB
SCHEMBL15539858 0.85 SSTR5 (0.55) SSTR5KCNH2RARBPARP15PARP10
SCHEMBL16758080 0.83 SSTR5 (0.43) SSTR5KCNH2
SCHEMBL15538034 0.81 CHRM2 (0.44) SSTR5KCNH2RARARARBCHRM2
SCHEMBL15539206 0.81 GPR119 (0.57) SSTR5KCNH2RARARARBCHRM2
SCHEMBL15538771 0.81 GPR119 (0.45) SSTR5KCNH2RARARARBCHRM2
SCHEMBL16757956 0.80 RARB (0.44) SSTR5KCNH2RARARARBCHRM2
SCHEMBL18842727 0.80 RARA (0.51) SSTR5KCNH2RARARARBCHRM2
SCHEMBL15538445 0.80 RARA (0.51) SSTR5KCNH2RARARARBCHRM2

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
EP-3074384-B1 AMIDE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-05-22 EP disclosed