SCHEMBL28615511

SCHEMBL28615511

CCOC(=O)C1CCN(C(=O)NCCCCC(NC(=O)OCc2ccccc2)C(=O)N2CCC(NC(=O)NC)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 17/20 0.54
F13A1 P00488 2/20 0.54
TGM1 P22735 2/20 0.54
TGM6 O95932 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
FPR2 P25090 1/20 0.46

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
SCHEMBL28624314 0.86 TGM2 (0.59) TGM2F13A1TGM1TGM6
SCHEMBL28611635 0.83 DPP4 (0.55) TGM2F13A1TGM1
SCHEMBL28921090 0.82 TGM2 (0.54) TGM2F13A1TGM1TGM6
Hydrochloric Acid SCHEMBL28613884 0.82 DPP4 (0.55) TGM2F13A1TGM1
SCHEMBL28613207 0.82 TGM2 (0.54) TGM2F13A1TGM1TGM6
SCHEMBL28613206 0.82 TGM2 (0.54) TGM2F13A1TGM1TGM6
SCHEMBL28624318 0.79 ALDH1A1 (0.39)
SCHEMBL28447032 0.75 ITGB3 (0.62) TGM2F13A1TGM1TGM6ITGB3
SCHEMBL28625104 0.74 OPRK1 (0.60)
SCHEMBL28625102 0.74 OPRK1 (0.60)

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