SCHEMBL2598542

SCHEMBL2598542

CCCCOC(=O)N1CCC(N2CCC(OS(C)(=O)=O)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM1 P11229 3/20 0.43
CHRM2 P08172 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL790072 0.79 TP53 (0.32) L3MBTL1TP53TDP1ALDH1A1KDM4E
SCHEMBL3313643 0.79 SMN1; SMN2 (0.52) LMNAPOLBSMN1; SMN2CHRM1CHRM2
SCHEMBL799011 0.79 TP53 (0.50) TP53GPR119KDM4E
SCHEMBL14795056 0.75 TSHR (0.40) SMN1; SMN2CHRM1CHRM2L3MBTL1TDP1
SCHEMBL31131213 0.74 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2CHRM1CHRM2
SCHEMBL2360585 0.74 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2CHRM1CHRM2
SCHEMBL795879 0.74 TP53 (0.45) TP53GPR119KDM4E
SCHEMBL2598541 0.73
SCHEMBL724672 0.72 SMN1; SMN2 (0.50) LMNAPOLBSMN1; SMN2CHRM1CHRM2
SCHEMBL30121711 0.72 CHRM2 (0.50) LMNAPOLBSMN1; SMN2CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed