SCHEMBL1900196

SCHEMBL1900196

CSc1ccc(-n2ncc3c(OC4CCN(C(=O)c5cc(F)cnc5Cl)CC4)ncnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.51
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL389131 0.89 GPR119 (0.66) GPR119CYP2C9KCNH2
SCHEMBL5649951 0.83 GPR119 (0.53) GPR119CYP2C9KCNH2SMN1; SMN2HPGD
SCHEMBL386717 0.75 GPR119 (0.68) GPR119CYP2C9KCNH2
SCHEMBL386516 0.75 GPR119 (0.71) GPR119CYP2C9KCNH2
SCHEMBL390951 0.73 GPR119 (0.68) GPR119CYP2C9KCNH2SMN1; SMN2ALDH1A1
SCHEMBL389954 0.73 GPR119 (0.68) GPR119CYP2C9KCNH2
SCHEMBL389429 0.72 GPR119 (0.69) GPR119CYP2C9KCNH2
SCHEMBL390804 0.72 GPR119 (0.69) GPR119CYP2C9KCNH2
SCHEMBL390160 0.72 GPR119 (0.69) GPR119CYP2C9KCNH2
SCHEMBL1070471 0.72 GPR119 (0.64) GPR119CYP2C9KCNH2

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
EP-2322152-A1 Method of preparing a composition comprising a GPR119 agonist Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed