SCHEMBL28611635

SCHEMBL28611635

CNC(=O)NC1CCN(C(=O)C(CCCCN)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.55
DPP8 Q6V1X1 3/20 0.55
TGM2 P21980 9/20 0.54
F13A1 P00488 1/20 0.54
TGM1 P22735 1/20 0.54
DPP7 Q9UHL4 4/20 0.51
CTSK P43235 3/20 0.50
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 1/20 0.48
KCNH2 Q12809 2/20 0.48

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
Hydrochloric Acid SCHEMBL28613884 0.99 DPP4 (0.55) DPP4DPP8TGM2F13A1TGM1
SCHEMBL28624314 0.90 TGM2 (0.59) TGM2F13A1TGM1
SCHEMBL28921090 0.89 TGM2 (0.54) TGM2F13A1TGM1CTSKCTSL
SCHEMBL28613206 0.87 TGM2 (0.54) TGM2F13A1TGM1CTSK
SCHEMBL28613207 0.87 TGM2 (0.54) TGM2F13A1TGM1CTSK
SCHEMBL15630554 0.84 TGM2 (0.73) DPP4DPP8TGM2F13A1TGM1
SCHEMBL28615511 0.83 TGM2 (0.54) TGM2F13A1TGM1
SCHEMBL15920180 0.81 DPP4 (0.56) DPP4DPP8TGM2F13A1TGM1
SCHEMBL7294359 0.81 DPP4 (0.58) DPP4DPP8TGM2F13A1TGM1
Hydrochloric Acid SCHEMBL6767096 0.80 DPP4 (0.58) 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
CN-107098871-B Phenyl propionamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed