SCHEMBL882339

SCHEMBL882339

C#C[C@H]1CC[C@@H](N)N1C(=O)CNC1(C)CCN(c2cc(C(=O)O)ccn2)CC1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.81
DPP8 Q6V1X1 1/20 0.63
DPP9 Q86TI2 1/20 0.63
PIK3CA P42336 2/20 0.40
KDM4C Q9H3R0 4/20 0.34
KDM5A P29375 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
OPRD1 P41143 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
USP30 Q70CQ3 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
KDM4A O75164 1/20 0.32
ITGAL P20701 1/20 0.32

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
SCHEMBL14648444 0.94 DPP4 (0.92) DPP4DPP8DPP9PIK3CAKDM4C
SCHEMBL14641775 0.92 DPP4 (0.81) DPP4DPP8DPP9PIK3CAUSP30
SCHEMBL8027037 0.92 DPP4 (0.81) DPP4DPP8DPP9PIK3CAUSP30
SCHEMBL8021363 0.92 DPP4 (0.81) DPP4DPP8DPP9PIK3CAUSP30
SCHEMBL13550825 0.92 DPP4 (0.81) DPP4DPP8DPP9PIK3CAUSP30
SCHEMBL13746843 0.92 DPP4 (0.81) DPP4DPP8DPP9PIK3CAUSP30
SCHEMBL8024223 0.91 DPP4 (0.69) DPP4DPP8DPP9PIK3CAKDM4C
SCHEMBL13748177 0.91 DPP4 (0.69) DPP4DPP8DPP9PIK3CAKDM4C
SCHEMBL11998124 0.91 DPP4 (0.83) DPP4DPP8DPP9PIK3CAKDM4C
SCHEMBL646974 0.90 DPP4 (1.00) DPP4DPP8DPP9PIK3CA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170702-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
WO-2012135570-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed
WO-2012040279-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011005929-A1 PIPERIDINE DERIVATIVE AND ITS USE FOR THE TREATMENT OF DIABETS AND OBESITY ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed