SCHEMBL15637008

SCHEMBL15637008

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccc(F)cc2)n1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 14/20 0.53
▸ APLNR P35414 3/20 0.49
▸ PRNP P04156 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ CYP26A1 O43174 1/20 0.45
▸ MME P08473 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL15637366 0.97 CTSA (0.52) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15637296 0.97 CTSA (0.54) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15636963 0.97 CTSA (0.54) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL16223863 0.95 CTSA (0.54) CTSAAPLNR
SCHEMBL15636737 0.95 CTSA (0.53) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15636942 0.95 CTSA (0.52) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15636772 0.95 CTSA (0.52) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15635884 0.95 CTSA (0.52) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15636386 0.95 CTSA (0.54) CTSAAPLNR
SCHEMBL15636656 0.94 CTSA (0.53) CTSAAPLNRPRNPNPSR1RXFP1

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-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
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