SCHEMBL2312985

SCHEMBL2312985

O=C(O)C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)Cc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.62
PIN1 Q13526 1/20 0.61
MME P08473 4/20 0.54
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.50
KCNJ5 P48544 3/20 0.48
KCNJ3 P48549 3/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
BACE1 P56817 1/20 0.44
DDR1 Q08345 1/20 0.44
MMEL1 Q495T6 1/20 0.44
CSNK1D P48730 1/20 0.44
KCNJ6 P48051 1/20 0.43

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
SCHEMBL2312990 1.00 FFAR2 (0.62) FFAR2PIN1MMETP53LMNA
SCHEMBL2320461 0.94 FFAR2 (0.62) FFAR2PIN1MMETP53LMNA
SCHEMBL2320456 0.94 FFAR2 (0.62) FFAR2PIN1MMETP53LMNA
SCHEMBL2314448 0.88 FFAR2 (0.69) FFAR2PIN1MMEKCNJ5KCNJ3
SCHEMBL2314458 0.88 FFAR2 (0.69) FFAR2PIN1MMEKCNJ5KCNJ3
SCHEMBL2320355 0.88 PIN1 (0.69) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2320363 0.88 PIN1 (0.69) FFAR2PIN1MMEMEN1MAPT
SCHEMBL2312580 0.87 FFAR2 (0.72) FFAR2PIN1MMELMNAMEN1
SCHEMBL2312583 0.87 FFAR2 (0.72) FFAR2PIN1MMELMNAMEN1
SCHEMBL2312669 0.87 PIN1 (0.66) FFAR2PIN1MMEMEN1MAPT

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