SCHEMBL18516780

SCHEMBL18516780

O=C[C@H](CCC(=O)O)NC(=O)N[C@@H](CCc1cn(CCF)nn1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 15/20 0.69
▸ DGAT1 O75907 5/20 0.56

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
SCHEMBL18516782 0.92 FOLH1 (0.66) FOLH1DGAT1
SCHEMBL18516786 0.92 FOLH1 (0.80) FOLH1DGAT1
SCHEMBL18516755 0.84 FOLH1 (0.73) FOLH1
SCHEMBL18496722 0.83 FOLH1 (0.80) FOLH1DGAT1
SCHEMBL14722192 0.82 FOLH1 (1.00) FOLH1DGAT1
SCHEMBL18161528 0.82 FOLH1 (1.00) FOLH1DGAT1
SCHEMBL14722195 0.82 FOLH1 (1.00) FOLH1DGAT1
SCHEMBL22712914 0.82 FOLH1 (1.00) FOLH1DGAT1
SCHEMBL14721856 0.80 FOLH1 (0.91) FOLH1DGAT1
SCHEMBL18516785 0.80 FOLH1 (0.66) FOLH1DGAT1

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-2017027870-A1 TRIAZOLE CONJUGATED UREAS, THIOUREAS, CARBAMATES, AND \"REVERSED\" CARBAMATES FOR PSMA-TARGETED IMAGING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-16 — — WO disclosed
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