SCHEMBL2314809

SCHEMBL2314809

Cc1ccc(CC(=O)N[C@@H](CC(=O)O)Cc2ccc(C#N)cc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.53
FFAR2 O15552 1/20 0.47
PSMB8 P28062 2/20 0.46
PSMB5 P28074 2/20 0.46
PIN1 Q13526 1/20 0.44
FFAR1 O14842 1/20 0.41
IDO1 P14902 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
MMEL1 Q495T6 2/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL2314812 1.00 MME (0.53) MMEFFAR2PSMB8PSMB5PIN1
SCHEMBL2318192 0.87 MME (0.53) MMEFFAR2PIN1IDO1CTSL
SCHEMBL2318197 0.87 MME (0.53) MMEFFAR2PIN1IDO1CTSL
SCHEMBL2316192 0.87 MME (0.52) MMEFFAR2PSMB8PSMB5MMEL1
SCHEMBL2316203 0.87 MME (0.52) MMEFFAR2PSMB8PSMB5MMEL1
SCHEMBL2316001 0.87 MME (0.56) MMEFFAR2PIN1CTSLCTSB
SCHEMBL2315994 0.87 MME (0.56) MMEFFAR2PIN1CTSLCTSB
SCHEMBL2315932 0.85 MME (0.59) MMEFFAR2PSMB8PSMB5MMEL1
SCHEMBL2315940 0.85 MME (0.59) MMEFFAR2PSMB8PSMB5MMEL1
SCHEMBL2318052 0.84 MME (0.53) MMEFFAR2PIN1MMEL1CNR1

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