SCHEMBL6584493

SCHEMBL6584493

CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CN1CCC(CO)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
CTSS P25774 1/20 0.48
PPARG P37231 1/20 0.47
KLK5 Q9Y337 3/20 0.46
KLK7 P49862 2/20 0.46
RAB9A P51151 1/20 0.45
SYK P43405 1/20 0.44
CTSL P07711 1/20 0.44
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL6584496 1.00 PPARA (0.51) PPARACTSSPPARGKLK5KLK7
SCHEMBL6585203 1.00 PPARA (0.51) PPARACTSSPPARGKLK5KLK7
SCHEMBL6584975 0.91 PPARA (0.50) PPARACTSSPPARGKLK5KLK7
SCHEMBL27491559 0.91 PPARA (0.50) PPARACTSSPPARGKLK5KLK7
SCHEMBL6584598 0.91 PPARA (0.50) PPARACTSSPPARGKLK5KLK7
SCHEMBL6582704 0.82 PPARA (0.59) PPARACTSSPPARGKLK5KLK7
SCHEMBL18407225 0.81 PPARA (0.69) PPARACTSSPPARGKLK5KLK7
SCHEMBL212796 0.80 PPARA (0.65) PPARACTSSPPARGKLK5KLK7
SCHEMBL212797 0.80 PPARA (0.65) PPARACTSSPPARGKLK5KLK7
SCHEMBL1132570 0.80 PPARA (0.65) PPARACTSSPPARGKLK5KLK7

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-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
EP-0815080-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT 4? ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1998-01-07 EP 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