SCHEMBL3873296

SCHEMBL3873296

CCOc1cc(CN2CC[CH]CC2C(N)=O)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.44
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 2/20 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
SCHEMBL3871842 0.89 SSTR5 (0.46) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL3883342 0.88 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL3873697 0.88 SSTR5 (0.45) KDM4EALDH1A1SMN1; SMN2MAOB
SCHEMBL3872367 0.85 SSTR5 (0.43) KDM4EMAOB
SCHEMBL3876134 0.84 SSTR5 (0.49) KDM4EMAOBATM
SCHEMBL3871203 0.83 DHFR (0.39) KDM4EALDH1A1SMN1; SMN2LMNAMAOB
SCHEMBL3872725 0.83 KDM4E (0.39) KDM4EALDH1A1LMNAMAOB
SCHEMBL3873985 0.81 SSTR5 (0.50)
SCHEMBL6504152 0.78 CCR8 (0.52) MAOBKMT2AMEN1
SCHEMBL6338074 0.78 NPSR1 (0.39) KDM4ENPSR1LMNAMAOBKMT2A

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