SCHEMBL3876134

SCHEMBL3876134

CCOc1cc(CN2CC[CH]CC2C(N)=O)ccc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.49
GRM2 Q14416 3/20 0.45
MAOB P27338 6/20 0.45
MAOA P21397 3/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL3873985 0.89 SSTR5 (0.50) SSTR5KCNH2
SCHEMBL3883342 0.87 ALDH1A1 (0.43) SSTR5MAOBMAOAKDM4E
SCHEMBL3872367 0.85 SSTR5 (0.43) SSTR5MAOBMAOAKDM4EKCNH2
SCHEMBL3873296 0.84 KDM4E (0.53) MAOBATMKDM4E
SCHEMBL3871842 0.84 SSTR5 (0.46) SSTR5MAOBMAOAKDM4E
SCHEMBL3873697 0.83 SSTR5 (0.45) SSTR5MAOBMAOAKDM4EKCNH2
SCHEMBL2852932 0.81 MAOB (0.47) GRM2MAOBMAOA
SCHEMBL3872725 0.78 KDM4E (0.39) SSTR5MAOBMAOAKDM4EKCNH2
SCHEMBL3871203 0.76 DHFR (0.39) SSTR5MAOBMAOAKDM4E
SCHEMBL6331653 0.73 MAOB (0.40) MAOBMAOAKDM4EKCNH2

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-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed