SCHEMBL14780930

SCHEMBL14780930

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.47
USP2 O75604 1/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
MBTD1 Q05BQ5 1/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL14780924 0.86 GPR119 (0.63) GPR119USP2ALDH1A1L3MBTL1HPGD
SCHEMBL14780934 0.82 USP2 (0.60) GPR119USP2ALDH1A1L3MBTL1HPGD
SCHEMBL3487761 0.76 GPR119 (0.82) GPR119ALDH1A1MAPT
SCHEMBL4555361 0.74 GPR119 (0.66) GPR119USP2ALDH1A1L3MBTL1HPGD
SCHEMBL14780920 0.73 ITGB3 (0.50) GPR119MAPT
SCHEMBL13654718 0.72 ALDH1A1 (0.63) USP2ALDH1A1L3MBTL1HPGDALOX15
SCHEMBL14960276 0.72 MAPT (0.40) GPR119ALDH1A1L3MBTL1ALOX15MAPT
SCHEMBL13506522 0.70 USP2 (0.64) GPR119USP2ALDH1A1L3MBTL1HPGD
SCHEMBL4299026 0.70 ALDH1A1 (0.57) USP2ALDH1A1F2PRSS1PRSS2
SCHEMBL15285555 0.70 ALDH1A1 (0.68) USP2ALDH1A1L3MBTL1HPGDALOX15

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