SCHEMBL3872371

SCHEMBL3872371

CCOc1cc(CN2CCC(N)CC2)cc(OCC)c1F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.52
KCNH2 Q12809 5/20 0.48
SSTR3 P32745 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3883346 0.85 SSTR5 (0.55) SSTR5KCNH2SSTR3KDM4EALDH1A1
SCHEMBL3872726 0.84 SSTR5 (0.44) SSTR5KCNH2SSTR3KDM4EALDH1A1
SCHEMBL3873987 0.83 SSTR5 (0.68) SSTR5KCNH2SSTR3
SCHEMBL3871205 0.81 SSTR5 (0.47) SSTR5KCNH2SSTR3KDM4EALDH1A1
SCHEMBL1875443 0.81 ALDH1A1 (0.47) SSTR5KCNH2SSTR3KDM4EALDH1A1
SCHEMBL3871844 0.81 SSTR5 (0.56) SSTR5KDM4EALDH1A1TSHR
SCHEMBL3876136 0.80 SSTR5 (0.58) SSTR5KCNH2SSTR3
SCHEMBL29087391 0.80 KDM4E (0.68) SSTR5KDM4EALDH1A1TSHR
SCHEMBL1748416 0.80 ALDH1A1 (0.58) SSTR5KDM4EALDH1A1
SCHEMBL1748320 0.80 SSTR5 (0.55) SSTR5KCNH2KDM4EALDH1A1TSHR

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