SCHEMBL2585816

SCHEMBL2585816

C=CCC(=O)N1[C@@H](/C=C/C(=O)OC)CC[C@H]1c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.37
OPRK1 P41145 1/20 0.36
CALCRL Q16602 3/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR2 O15552 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD4 P21917 1/20 0.35
JAK2 O60674 1/20 0.34
NTRK1 P04629 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
SCHEMBL2585729 0.90 FFAR2 (0.35) RIPK1CALCRLFFAR2
SCHEMBL2588030 0.88 FFAR2 (0.39) RIPK1CALCRLALDH1A1FFAR2
SCHEMBL4514302 0.88 RIPK1 (0.37) RIPK1OPRK1CALCRLALDH1A1DRD4
SCHEMBL4514297 0.88 RIPK1 (0.37) RIPK1OPRK1CALCRLALDH1A1DRD4
SCHEMBL2584595 0.86 MEN1 (0.34) ALDH1A1FFAR2KMT2A
SCHEMBL4514257 0.86 RIPK1 (0.41) RIPK1OPRK1ALDH1A1FFAR2KMT2A
SCHEMBL4514259 0.86 RIPK1 (0.41) RIPK1OPRK1ALDH1A1FFAR2KMT2A
SCHEMBL2583865 0.84 NTRK1 (0.34) KMT2AJAK2NTRK1
SCHEMBL3617782 0.82 FFAR2 (0.35) FFAR2
SCHEMBL2583127 0.82 FFAR2 (0.35) FFAR2

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