SCHEMBL2314874

SCHEMBL2314874

O=C(O)CC(Cc1ccc2ccccc2c1)NC(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.74
FFAR2 O15552 5/20 0.66
MME P08473 4/20 0.58
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
RIOK2 Q9BVS4 1/20 0.51
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CNR2 P34972 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL2314866 1.00 PIN1 (0.74) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2315266 1.00 PIN1 (0.74) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2320240 1.00 PIN1 (0.74) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2320231 1.00 PIN1 (0.74) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2312580 0.92 FFAR2 (0.72) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2312583 0.92 FFAR2 (0.72) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2320363 0.91 PIN1 (0.69) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2320355 0.91 PIN1 (0.69) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2320428 0.90 FFAR2 (0.73) PIN1FFAR2MMERIOK2CNR2
SCHEMBL2320431 0.90 FFAR2 (0.73) PIN1FFAR2MMERIOK2CNR2

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed