SCHEMBL2364653

SCHEMBL2364653

CC(=O)NCCC(Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.46
MTNR1B P49286 9/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.43
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KIF11 P52732 1/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GFER P55789 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
SCHEMBL878149 0.78 POLB (0.44) L3MBTL1CYP1A2CNR1CNR2LMNA
SCHEMBL27466589 0.78 CYP1A2 (0.50) L3MBTL1CYP1A2LMNAHTTKIF11
SCHEMBL2364636 0.75 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1
SCHEMBL10884186 0.74 MTNR1A (0.49) MTNR1AMTNR1BL3MBTL1
SCHEMBL3433832 0.73 CYP1A2 (0.54) L3MBTL1CYP1A2LMNAHTTKIF11
SCHEMBL2365011 0.73 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1
SCHEMBL6688205 0.73 CYP1A2 (0.48) CYP1A2CNR1CNR2KIF11
SCHEMBL6691407 0.73 CYP1A2 (0.48) CYP1A2CNR1CNR2KIF11
SCHEMBL1133623 0.72 SCN5A (0.46) CYP1A2HTTKIF11
SCHEMBL27508355 0.72 SCN5A (0.46) CYP1A2HTTKIF11

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 disclosed