SCHEMBL14693049

SCHEMBL14693049

Cc1cnc(N2CCC(Oc3cc(=O)n(-c4ccc(Cl)c(Cl)c4)nc3C#N)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.46
▸ SCD O00767 4/20 0.43
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ GPR6 P46095 1/20 0.38

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
SCHEMBL1550949 0.93 GPR119 (0.51) GPR119SCDNPC1MAPTHTT
SCHEMBL2539391 0.91 GPR119 (0.44) GPR119SCDNPC1MAPTHTT
SCHEMBL2542106 0.91 GPR119 (0.44) GPR119SCDNPC1MAPTHTT
SCHEMBL14693050 0.89 GPR119 (0.50) GPR119SCDNPC1MAPTHTT
SCHEMBL2545051 0.89 GPR119 (0.56) GPR119SCDNPC1MAPTHTT
SCHEMBL1549889 0.89 GPR119 (0.55) GPR119SCDNPC1MAPTHTT
SCHEMBL14693053 0.85 GPR119 (0.43) GPR119SCDKCNH2GPR6
SCHEMBL14693051 0.85 GPR119 (0.57) GPR119KCNH2
SCHEMBL2540230 0.81 GPR119 (0.66) GPR119KCNH2
SCHEMBL2541877 0.81 BCAT1 (0.42) SCDNPC1MAPTHTTSMN1; SMN2

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-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 — — US disclosed
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