SCHEMBL2578423

SCHEMBL2578423

C=CCC(=O)N1[C@@H](C(=O)OC)CCC[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.39
OPRK1 P41145 1/20 0.37
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL2578264 0.90 OPRK1 (0.36) OPRK1ALDH1A1PKM
SCHEMBL4509292 0.86 FFAR2 (0.43) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2587846 0.84 FFAR2 (0.35) FFAR2OPRK1PSEN1PSEN2APH1B
SCHEMBL2585656 0.84 FFAR2 (0.35) FFAR2OPRK1PSEN1PSEN2APH1B
SCHEMBL2581482 0.82 PSEN1 (0.36) FFAR2OPRK1PSEN1PSEN2APH1B
SCHEMBL2585664 0.79 FFAR2 (0.35) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2587848 0.79 FFAR2 (0.35) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2585660 0.79 FFAR2 (0.35) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4509140 0.79 FFAR2 (0.34) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4509143 0.79 FFAR2 (0.34) FFAR2PSEN1PSEN2APH1BNCSTN

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
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed