SCHEMBL2931724

SCHEMBL2931724

CCC(C(=O)O)C1CNc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
MTNR1B P49286 1/20 0.48
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ITGB3 P05106 2/20 0.37
ITGAV P06756 2/20 0.37
ITGA2B P08514 2/20 0.37
ITGB5 P18084 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BRD4 O60885 2/20 0.36
MAPK1 P28482 3/20 0.36
HPGD P15428 1/20 0.34
CREBBP Q92793 1/20 0.34
PPARA Q07869 1/20 0.32

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
SCHEMBL8298174 0.82 GRM7 (0.41) MTNR1AMTNR1B
SCHEMBL16823636 0.81 MTNR1A (0.48) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL11621421 0.77 GAA (0.50) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL1775223 0.74 TSHR (0.33) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL12610368 0.74 MTNR1A (0.44) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL881106 0.74 MTNR1A (0.44) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL29332740 0.74 MTNR1A (0.44) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562992 0.70 EPHX2 (0.43) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8568797 0.69 MTNR1A (0.39) MTNR1AMTNR1BEPHX2ITGB3ITGAV
SCHEMBL924219 0.69 GAA (0.54) MTNR1AMTNR1BEPHX2GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed