SCHEMBL4645290

SCHEMBL4645290

CN(C)CC(=O)CNc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.59
KLKB1 P03952 6/20 0.52
POLB P06746 1/20 0.46

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
SCHEMBL3577876 0.89 F10 (0.58) F10KLKB1POLB
SCHEMBL3582353 0.88 POLB (0.55) F10KLKB1POLB
SCHEMBL3587146 0.86 F10 (0.58) F10KLKB1POLB
SCHEMBL3830271 0.83 F10 (0.63) F10KLKB1POLB
SCHEMBL3582471 0.82 F10 (0.49) F10KLKB1POLB
SCHEMBL3584850 0.81 POLB (0.52) F10KLKB1POLB
SCHEMBL3577875 0.79 F10 (0.57) F10KLKB1POLB
SCHEMBL3581950 0.79 POLB (0.57) F10KLKB1POLB
SCHEMBL20584247 0.79 F10 (0.66) F10KLKB1POLB
SCHEMBL29581142 0.79 F10 (0.66) F10KLKB1POLB

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
EP-1697318-B1 PROLINYLARYLACETAMIDES MERCK PATENT GMBH (DE) 2008-08-27 EP claimed