SCHEMBL8114017

SCHEMBL8114017

Cc1ccc(C#N)cc1NCC(=O)Nc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.59
CETP P11597 8/20 0.51
ALK Q9UM73 1/20 0.47
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42

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
SCHEMBL8113514 0.91 GPR119 (0.58) GPR119CETPALKPTPN2PTPN1
SCHEMBL8115238 0.87 GPR119 (0.59) GPR119CETPALKPTPN2PTPN1
SCHEMBL8120146 0.86 GPR119 (0.52) GPR119CETPALK
SCHEMBL8120896 0.86 GPR119 (0.52) GPR119CETPALK
SCHEMBL6188104 0.81 GPR119 (0.57) GPR119CETPALK
SCHEMBL225375 0.79 GPR119 (0.91) GPR119ALK
SCHEMBL31716198 0.79 TGFBR1 (0.51) GPR119CETP
SCHEMBL6192221 0.78 GPR119 (0.61) GPR119CETPALK
SCHEMBL6959826 0.77 GPR119 (0.62) GPR119CETPALKPTPN2PTPN1
SCHEMBL6954502 0.77 GPR119 (0.61) GPR119CETPALK

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