SCHEMBL5155529

SCHEMBL5155529

CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.59
FPR1 P21462 4/20 0.59
P2RX7 Q99572 1/20 0.56
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
KMT2A Q03164 2/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
MAPK1 P28482 1/20 0.48
PTPN1 P18031 1/20 0.46
PABPC1 P11940 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6767381 1.00 FPR2 (0.59) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL5151249 1.00 FPR2 (0.59) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL10420634 0.99 FPR2 (0.60) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL7304921 0.99 FPR2 (0.60) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL22338765 0.92 P2RX7 (0.57) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL22303692 0.92 P2RX7 (0.57) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL9994564 0.91 P2RX7 (0.60) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL9994565 0.91 P2RX7 (0.60) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL10421028 0.90 KMT2A (0.55) FPR2FPR1P2RX7CTSSCTSK
SCHEMBL2581610 0.89 P2RX7 (0.61) FPR2FPR1P2RX7CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US disclosed
EP-1373233-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-02 EP disclosed
WO-2002076964-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-03 WO disclosed