SCHEMBL2472689

SCHEMBL2472689

CCOc1ccc(C(=O)N2CCC(COc3ccc(-c4ncc(Cl)cn4)cc3)(C(=O)O)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.61
PTGER4 P35408 1/20 0.61
PTGDR Q13258 1/20 0.61
DRD1 P21728 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.44
NQO2 P16083 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
LTB4R Q15722 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2436757 0.90 PTGER2 (0.59) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL3322222 0.87 PTGER4 (0.50) PTGER2PTGER4PTGDRGAAALDH1A1
SCHEMBL2440010 0.85 PTGER4 (0.57) PTGER2PTGER4PTGDRGAAHPGD
SCHEMBL2438543 0.84 PTGER2 (0.48) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2435130 0.83 PTGER2 (0.59) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2435041 0.83 PTGER2 (0.54) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2440526 0.83 PTGER2 (0.54) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2435225 0.80 PTGER2 (0.58) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL3321497 0.80 PTGER2 (0.68) PTGER2PTGER4PTGDRDRD1HRH4
SCHEMBL2435180 0.79 CHRM2 (0.44) PTGER2PTGER4PTGDRHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP claimed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO claimed
EP-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP disclosed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO disclosed