SCHEMBL2597138

SCHEMBL2597138

CC1(C)OB(c2cnc(N3CCC(N4CCCC4=O)[C@H](Oc4cc(F)c(S(C)(=O)=O)cc4F)C3)nc2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.36
SCN9A Q15858 2/20 0.31
KCNH2 Q12809 2/20 0.31
SCN2B O60939 1/20 0.31
SCN1A P35498 1/20 0.31
SCN1B Q07699 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL2597058 0.84 GPR119 (0.37) GPR119SCN9ASCN5A
SCHEMBL14918086 0.79 SCN5A (0.36) GPR119SCN9AKCNH2SCN2BSCN1A
SCHEMBL14918043 0.79 NR1H2 (0.34) GPR119SCN9AKCNH2SCN2BSCN1A
SCHEMBL15023694 0.78 GPR119 (0.39) GPR119KCNH2NR1H2NR1H3
SCHEMBL2597137 0.78 GPR119 (0.39) GPR119KCNH2NR1H2NR1H3
SCHEMBL2597298 0.78 NR1H2 (0.41) GPR119SCN9AKCNH2NR1H2NR1H3
SCHEMBL790469 0.71 SCN9A (0.34) SCN9AKCNH2SCN2BSCN1ASCN1B
SCHEMBL788886 0.71 SCN9A (0.34) SCN9AKCNH2SCN2BSCN1ASCN1B
SCHEMBL2597007 0.70 GPR119 (0.35) GPR119KCNH2
SCHEMBL2597290 0.69 GPR119 (0.41) GPR119NR1H2

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