SCHEMBL15636592

SCHEMBL15636592

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2cccc(F)c2)n1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 17/20 0.52
▸ KMT2A Q03164 1/20 0.45
▸ APLNR P35414 1/20 0.44
▸ PRNP P04156 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 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
SCHEMBL15636360 0.97 CTSA (0.49) CTSAKMT2AAPLNRPRNPNPSR1
SCHEMBL15635626 0.93 CTSA (0.52) CTSAKMT2A
SCHEMBL15636448 0.93 CTSA (0.56) CTSA
SCHEMBL15636668 0.93 CTSA (0.53) CTSAKMT2A
SCHEMBL15635457 0.93 CTSA (0.56) CTSAKMT2AAPLNR
SCHEMBL15636963 0.93 CTSA (0.54) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15637296 0.93 CTSA (0.54) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15636531 0.92 CTSA (0.51) CTSAKMT2A
SCHEMBL15635967 0.92 CTSA (0.53) CTSAAPLNRPRNPNPSR1RXFP1
SCHEMBL15637008 0.91 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
Send feedback