SCHEMBL28624308

SCHEMBL28624308

CNC(=O)NCCCC[C@@H](N)C(=O)N1CCC(NC(=O)NC)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.48
DPP7 Q9UHL4 2/20 0.43
EPHX1 P07099 11/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39

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
SCHEMBL28624310 1.00 EPHX2 (0.48) EPHX2DPP7EPHX1ITGB3ITGA2B
SCHEMBL28613203 0.93 EPHX2 (0.44) EPHX2DPP7EPHX1ITGB3ITGA2B
SCHEMBL28613201 0.93 EPHX2 (0.44) EPHX2DPP7EPHX1ITGB3ITGA2B
SCHEMBL19708437 0.87 EPHX1 (0.46) EPHX2DPP7EPHX1ITGB3ITGA2B
SCHEMBL28581494 0.87 EPHX1 (0.46) EPHX2DPP7EPHX1ITGB3ITGA2B
SCHEMBL21009781 0.86 EPHX1 (0.46) EPHX2DPP7EPHX1ITGB3ITGA2B
SCHEMBL28625098 0.83 EPHX2 (0.44) EPHX2EPHX1
SCHEMBL28624318 0.83 ALDH1A1 (0.39) EPHX2
SCHEMBL20873024 0.82 DPP7 (0.41) EPHX2DPP7EPHX1
SCHEMBL28611637 0.82 DPP7 (0.41) EPHX2DPP7EPHX1

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