SCHEMBL14780924

SCHEMBL14780924

B=C(O)N1CCC(C2CCN(c3ccc(C(N)=O)cc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.63
HRH3 Q9Y5N1 1/20 0.47
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
TDO2 P48775 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK1 O14757 1/20 0.40
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL14780934 0.88 USP2 (0.60) GPR119USP2L3MBTL1MBTD1TP53BP1
SCHEMBL4555361 0.88 GPR119 (0.66) GPR119HRH3USP2L3MBTL1CHRNA7
SCHEMBL14780930 0.86 GPR119 (0.47) GPR119HRH3USP2L3MBTL1MBTD1
SCHEMBL14780920 0.79 ITGB3 (0.50) GPR119ITGB3ITGA2BNPC1MAPT
SCHEMBL3486235 0.78 GPR119 (1.00) GPR119HRH3ALDH1A1LMNAMAPT
SCHEMBL27712656 0.77 NOTUM (0.54) GPR119HRH3USP2CHRNA7CHRNA10
SCHEMBL2263367 0.77 GPR119 (0.55) GPR119HRH3USP2L3MBTL1CHRNA7
SCHEMBL11962881 0.77 GPR119 (0.55) GPR119HRH3USP2L3MBTL1CHRNA7
SCHEMBL18871943 0.77 GPR119 (0.55) GPR119HRH3USP2L3MBTL1CHRNA7
SCHEMBL13506522 0.76 USP2 (0.64) GPR119USP2L3MBTL1MBTD1TP53BP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed