SCHEMBL2316441

SCHEMBL2316441

O=C(O)C[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.53
PIN1 Q13526 3/20 0.53
FDFT1 P37268 2/20 0.52
MME P08473 3/20 0.49
NR1H4 Q96RI1 1/20 0.48
MMEL1 Q495T6 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
S1PR3 Q99500 1/20 0.46
GSK3A P49840 1/20 0.44
MAPK10 P53779 1/20 0.44
RIOK2 Q9BVS4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
CASP1 P29466 1/20 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
SCHEMBL2316070 1.00 FFAR2 (0.53) FFAR2PIN1FDFT1MMENR1H4
SCHEMBL2316077 1.00 FFAR2 (0.53) FFAR2PIN1FDFT1MMENR1H4
SCHEMBL2320587 0.92 FFAR2 (0.58) FFAR2FDFT1MMEMMEL1S1PR3
SCHEMBL2320594 0.92 FFAR2 (0.58) FFAR2FDFT1MMEMMEL1S1PR3
SCHEMBL2314462 0.88 PIN1 (0.57) FFAR2PIN1MMENR1H4MMEL1
SCHEMBL2317481 0.88 PIN1 (0.57) FFAR2PIN1MMENR1H4MMEL1
SCHEMBL2316350 0.88 FFAR2 (0.61) FFAR2PIN1MMENR1H4MMEL1
SCHEMBL2316357 0.88 FFAR2 (0.61) FFAR2PIN1MMENR1H4MMEL1
SCHEMBL2314452 0.88 PIN1 (0.57) FFAR2PIN1MMENR1H4MMEL1
SCHEMBL2315069 0.88 PIN1 (0.59) FFAR2PIN1MMENR1H4MEN1

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