SCHEMBL7811262

SCHEMBL7811262

COc1ccccc1NC(=O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.53
FNTB P49356 4/20 0.53
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.49
KDM4E B2RXH2 3/20 0.49
RECQL P46063 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK10 P53779 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL8799599 0.95 FNTA (0.49) FNTAFNTBNPSR1HPGDALDH1A1
SCHEMBL8799600 0.90 HPGD (0.48) NPSR1HPGDALDH1A1LMNAHTT
SCHEMBL8799604 0.86 FNTA (0.42) FNTAFNTBNPSR1HPGDALDH1A1
SCHEMBL7812248 0.81 MTNR1A (0.49) FNTAFNTBHPGDHTT
SCHEMBL7807756 0.81 FNTA (0.69) FNTAFNTBHPGDALDH1A1MEN1
SCHEMBL12268167 0.77 FNTA (0.47) FNTAFNTBALDH1A1LMNAHTT
SCHEMBL1532918 0.76 PRKCZ (0.54) FNTAFNTBALDH1A1LMNAHTT
SCHEMBL6975177 0.75 MEN1 (0.51) MEN1KMT2ANPC1GAA
SCHEMBL7807800 0.75 FNTA (0.69) FNTAFNTBLMNAHTTMEN1
SCHEMBL7815227 0.74 FNTA (0.51) FNTAFNTBHPGDALDH1A1LMNA

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-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed
EP-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed