SCHEMBL8115238

SCHEMBL8115238

CC(C)(C)OC(=O)N1CCC(Oc2ccc(NC(=O)CNc3cccc(C#N)c3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.59
CETP P11597 4/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALK Q9UM73 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL8114017 0.87 GPR119 (0.59) GPR119CETPALKPTPN2PTPN1
SCHEMBL8113514 0.87 GPR119 (0.58) GPR119CETPALDH1A1MAPTALK
SCHEMBL8104569 0.86 ALDH1A1 (0.49) GPR119ALDH1A1MAPTNPC1NFKB1
SCHEMBL8120896 0.83 GPR119 (0.52) GPR119CETPALDH1A1ALK
SCHEMBL5971141 0.82 GPR119 (0.57) GPR119CETPALDH1A1ALKPTPN2
SCHEMBL5971135 0.82 GPR119 (0.57) GPR119CETPALDH1A1ALKPTPN2
SCHEMBL3895250 0.82 GPR119 (0.58) GPR119CETPALK
SCHEMBL8120146 0.82 GPR119 (0.52) GPR119CETPALK
SCHEMBL8121326 0.81 GPR119 (0.51) GPR119CETPALK
SCHEMBL3605978 0.81 GPR119 (0.69) GPR119ALK

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-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed