SCHEMBL15920180

SCHEMBL15920180

NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.56
DPP8 Q6V1X1 3/20 0.56
TGM2 P21980 13/20 0.55
F13A1 P00488 2/20 0.55
TGM1 P22735 2/20 0.55
DPP7 Q9UHL4 2/20 0.51
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TPSAB1 Q15661 1/20 0.49
TGM6 O95932 1/20 0.47
PRSS8 Q16651 1/20 0.47

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
SCHEMBL15920174 0.97 TGM2 (0.53) DPP4DPP8TGM2F13A1TGM1
SCHEMBL15630554 0.85 TGM2 (0.73) DPP4DPP8TGM2F13A1TGM1
SCHEMBL7294359 0.81 DPP4 (0.58) DPP4DPP8TGM2F13A1TGM1
SCHEMBL28611635 0.81 DPP4 (0.55) DPP4DPP8TGM2F13A1TGM1
Hydrochloric Acid SCHEMBL6767096 0.80 DPP4 (0.58) DPP4DPP8TGM2F13A1TGM1
Hydrochloric Acid SCHEMBL28613884 0.80 DPP4 (0.55) DPP4DPP8TGM2F13A1TGM1
SCHEMBL2856638 0.78 DPP4 (0.64) DPP4DPP8TGM2F13A1TGM1
SCHEMBL2856646 0.78 DPP4 (0.64) DPP4DPP8TGM2F13A1TGM1
SCHEMBL3961748 0.77 TGM2 (0.61) DPP4DPP8TGM2F13A1TGM1
SCHEMBL27456656 0.77 TGM2 (0.61) DPP4DPP8TGM2F13A1TGM1

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
WO-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed