SCHEMBL3873697

SCHEMBL3873697

CCOc1cc(CN2CC[CH]CC2C(N)=O)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.45
HRH1 P35367 2/20 0.45
SSTR1 P30872 1/20 0.45
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SPHK1 Q9NYA1 1/20 0.39
MAOB P27338 4/20 0.39
MAOA P21397 3/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL3873296 0.88 KDM4E (0.53) KDM4EMAOBALDH1A1SMN1; SMN2
SCHEMBL3871842 0.88 SSTR5 (0.46) SSTR5KDM4ESPHK1MAOBMAOA
SCHEMBL3883342 0.87 ALDH1A1 (0.43) SSTR5HRH1KDM4ESPHK1MAOB
SCHEMBL3872367 0.84 SSTR5 (0.43) SSTR5KCNH2KDM4ESPHK1MAOB
SCHEMBL3876134 0.83 SSTR5 (0.49) SSTR5KCNH2KDM4EMAOBMAOA
SCHEMBL3872725 0.82 KDM4E (0.39) SSTR5KCNH2KDM4ESPHK1MAOB
SCHEMBL3871203 0.80 DHFR (0.39) SSTR5HRH1KDM4ESPHK1MAOB
SCHEMBL3873985 0.80 SSTR5 (0.50) SSTR5KCNH2
SCHEMBL14142405 0.79 GAA (0.46) KDM4ESPHK1MAOBMAOAALDH1A1
SCHEMBL6505049 0.76 FAAH (0.48) KCNH2SPHK1MAOBMAOA

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