SCHEMBL28613201

SCHEMBL28613201

CNC(=O)NC1CCN(C(=O)[C@H](N)CCCCNC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.44
DPP7 Q9UHL4 4/20 0.41
ARG1 P05089 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
EPHX1 P07099 3/20 0.36
KDM5A P29375 1/20 0.35

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
SCHEMBL28613203 1.00 EPHX2 (0.44) EPHX2DPP7ARG1TLR9TLR8
SCHEMBL28624308 0.93 EPHX2 (0.48) EPHX2DPP7ITGB3ITGA2BEPHX1
SCHEMBL28624310 0.93 EPHX2 (0.48) EPHX2DPP7ITGB3ITGA2BEPHX1
SCHEMBL19708437 0.85 EPHX1 (0.46) EPHX2DPP7ITGB3ITGA2BDPP8
SCHEMBL28581494 0.85 EPHX1 (0.46) EPHX2DPP7ITGB3ITGA2BDPP8
SCHEMBL21009781 0.84 EPHX1 (0.46) EPHX2DPP7ITGB3ITGA2BDPP8
SCHEMBL20873024 0.83 DPP7 (0.41) EPHX2DPP7DPP8DPP9EPHX1
Methyl Carbamate SCHEMBL28611639 0.81 METAP1 (0.43) EPHX2DPP7DPP8DPP9KDM5A
SCHEMBL28624318 0.81 ALDH1A1 (0.39) EPHX2
SCHEMBL28628330 0.81 DPP7 (0.41) EPHX2DPP7DPP8DPP9EPHX1

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