SCHEMBL14780934

SCHEMBL14780934

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
GPR119 Q8TDV5 7/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MBTD1 Q05BQ5 1/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
HPGDS O60760 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL14780924 0.88 GPR119 (0.63) USP2GPR119L3MBTL1MBTD1TP53BP1
SCHEMBL13506522 0.88 USP2 (0.64) USP2GPR119KDM4EL3MBTL1MBTD1
SCHEMBL14780930 0.82 GPR119 (0.47) USP2GPR119KDM4EL3MBTL1MBTD1
SCHEMBL14780920 0.81 ITGB3 (0.50) GPR119MAPTNPC1RAB9ACASR
SCHEMBL2945397 0.78 GPR119 (0.81) USP2GPR119ALDH1A1MAPTLMNA
SCHEMBL3458375 0.77 USP2 (0.72) USP2KDM4EL3MBTL1MBTD1TP53BP1
SCHEMBL1662934 0.77 USP2 (0.72) USP2KDM4EL3MBTL1MBTD1TP53BP1
SCHEMBL23610369 0.76 KDM4E (0.71) USP2KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL17737082 0.76 KDM4E (0.71) USP2KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL4555361 0.76 GPR119 (0.66) USP2GPR119L3MBTL1MBTD1TP53BP1

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
US-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed