SCHEMBL24580423

SCHEMBL24580423

CNC(CCC(=O)O)C(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.41
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
P2RY12 Q9H244 5/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
ACE P12821 2/20 0.38
FOLH1 Q04609 1/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
REN P00797 1/20 0.38
HTT P42858 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CPB2 Q96IY4 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL23157003 0.83 MMP1 (0.39) HTTDPP7CPB2MMP1MMP2
SCHEMBL15083289 0.83 MMP1 (0.39) HTTDPP7CPB2MMP1MMP2
SCHEMBL24965299 0.81 MMP1 (0.36) CCKBRACERENMMP1MMP2
SCHEMBL24963372 0.81 MMP1 (0.36) CCKBRACERENMMP1MMP2
SCHEMBL12889372 0.80 P2RY12 (0.58) P2RY12
SCHEMBL4566691 0.79 MMP1 (0.41) DPP7CYP1A2MMP1MMP2MMP8
SCHEMBL24966043 0.79 REN (0.36) CCKBRP2RY12ITGB3ITGA2BACE
SCHEMBL25186323 0.77 L3MBTL1 (0.46) ITGB3ITGA2B
SCHEMBL14414546 0.77 L3MBTL1 (0.47) CPB2MMP1MMP2MMP8
SCHEMBL25186324 0.77 L3MBTL1 (0.46) ITGB3ITGA2B

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-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 WO disclosed