SCHEMBL2314822

SCHEMBL2314822

Cc1ccccc1CC(=O)N[C@@H](CC(=O)O)Cc1ccccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.49
PSMB5 P28074 5/20 0.48
PSMB8 P28062 3/20 0.44
CTSA P10619 1/20 0.40
PIN1 Q13526 1/20 0.39
MAOB P27338 1/20 0.39
FFAR1 O14842 2/20 0.38
P2RX7 Q99572 1/20 0.38
AKR1B1 P15121 1/20 0.37

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
SCHEMBL2314826 1.00 MME (0.49) MMEPSMB5PSMB8CTSAPIN1
SCHEMBL2317672 0.86 MME (0.50) MMEPSMB5PSMB8PIN1MAOB
SCHEMBL2317677 0.86 MME (0.50) MMEPSMB5PSMB8PIN1MAOB
SCHEMBL2313800 0.83 MME (0.47) MMEPSMB5PSMB8PIN1
SCHEMBL2313795 0.83 MME (0.47) MMEPSMB5PSMB8PIN1
SCHEMBL2318812 0.82 MME (0.44) MMEPSMB5PSMB8
SCHEMBL2318821 0.82 MME (0.44) MMEPSMB5PSMB8
SCHEMBL13702567 0.78 MME (0.53) MMEPSMB5PSMB8PIN1FFAR1
SCHEMBL13702569 0.78 MME (0.53) MMEPSMB5PSMB8PIN1FFAR1
SCHEMBL2313611 0.78 MME (0.58) MMEPSMB5PSMB8

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