SCHEMBL6582608

SCHEMBL6582608

CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCC(C(N)=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 2/20 0.58
PPARG P37231 1/20 0.56
CTSS P25774 1/20 0.55
CCKBR P32239 3/20 0.53
PABPC1 P11940 1/20 0.52
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL6582611 1.00 PPARA (0.60) PPARAMAPK1KMT2APPARGCTSS
SCHEMBL6582704 0.87 PPARA (0.59) PPARAMAPK1KMT2APPARGCTSS
SCHEMBL13198526 0.85 PPARA (0.63) PPARAKMT2APPARGCTSSKLK7
SCHEMBL3746299 0.84 PPARA (0.62) PPARAMAPK1KMT2APPARGCTSS
SCHEMBL2538849 0.82 PPARA (0.60) PPARAMAPK1KMT2APPARGCTSS
SCHEMBL2538853 0.82 PPARA (0.60) PPARAMAPK1KMT2APPARGCTSS
SCHEMBL2728641 0.80 PPARA (0.74) PPARAKMT2APPARGCTSSKLK7
SCHEMBL2728639 0.80 PPARA (0.74) PPARAKMT2APPARGCTSSKLK7
SCHEMBL3893943 0.80 PPARA (0.74) PPARAKMT2APPARGCTSSKLK7
SCHEMBL828674 0.80 PPARA (0.90) PPARAPPARGCTSSKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815080-B1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-06-16 EP disclosed
US-6002009-A Di-substituted 1,4-piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA, S.P.A. (IT) 1999-12-14 US disclosed
WO-1996028424-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-19 WO disclosed