SCHEMBL19120887

SCHEMBL19120887

C[N+](C)([O-])Cc1cn(Cc2ccc(C(=O)NCCCC[C@H](NC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)cc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 15/20 0.56
▸ DGAT1 O75907 5/20 0.50

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
SCHEMBL19120899 0.89 FOLH1 (0.60) FOLH1DGAT1
SCHEMBL19121538 0.89 FOLH1 (0.55) FOLH1DGAT1
SCHEMBL19120884 0.89 FOLH1 (0.55) FOLH1DGAT1
SCHEMBL19120678 0.79 FOLH1 (0.55) FOLH1DGAT1
SCHEMBL19121196 0.79 FOLH1 (0.61) FOLH1DGAT1
SCHEMBL18516784 0.77 FOLH1 (0.67) FOLH1
SCHEMBL24703367 0.76 FOLH1 (0.68) FOLH1DGAT1
SCHEMBL18359218 0.74 DGAT1 (0.70) FOLH1DGAT1
SCHEMBL23830031 0.74 FOLH1 (0.76) FOLH1
SCHEMBL23830032 0.74 FOLH1 (0.76) FOLH1

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-2017117687-A1 18/19F-LABELLED COMPOUNDS WHICH TARGET THE PROSTATE SPECIFIC MEMBRANE ANTIGEN BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-07-13 — — WO disclosed
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