SCHEMBL17553595

SCHEMBL17553595

C=CCOC(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)NN(C)S(=O)(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.41
▸ CCKAR P32238 5/20 0.41
▸ OPRD1 P41143 3/20 0.41
▸ TACR1 P25103 1/20 0.40

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
SCHEMBL17553592 0.90 CCKBR (0.44) CCKBRCCKAROPRD1TACR1
SCHEMBL17553508 0.88 CCKAR (0.38) CCKBRCCKAROPRD1TACR1
SCHEMBL17553513 0.79 MMP1 (0.46) —
SCHEMBL25991278 0.76 CCKBR (0.43) CCKBRCCKAROPRD1TACR1
SCHEMBL25349616 0.76 CCKBR (0.41) CCKBRCCKAROPRD1TACR1
SCHEMBL25991359 0.76 CCKBR (0.41) CCKBRCCKAROPRD1TACR1
SCHEMBL12285382 0.75 PAX8 (0.51) —
SCHEMBL17553675 0.75 REN (0.44) CCKBR
SCHEMBL17553457 0.74 L3MBTL1 (0.48) CCKBRCCKAROPRD1TACR1
SCHEMBL30490009 0.74 CCKBR (0.53) CCKBRCCKAROPRD1TACR1

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-2016029324-A1 AZASULFURYLPEPTIDE-BASED CD36 MODULATORS AND USES THEREOF RSEM, LIMITED PARTNERSHIP (CA) 2016-03-03 — — WO disclosed
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