SCHEMBL4648342

SCHEMBL4648342

O=C(CNc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1)CN1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.54
POLB P06746 1/20 0.50
KLKB1 P03952 4/20 0.46
MAPT P10636 3/20 0.41
ALOX5 P09917 1/20 0.40
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCR1 P32246 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3576970 0.91 F10 (0.61) F10POLBKLKB1MAPTL3MBTL1
SCHEMBL3577935 0.86 F10 (0.51) F10POLBKLKB1MAPTMEN1
SCHEMBL3580419 0.86 F10 (0.56) F10POLBKLKB1MAPTALOX5
SCHEMBL3591639 0.86 F10 (0.56) F10POLBKLKB1MAPTALOX5
SCHEMBL3593333 0.85 F10 (0.47) F10POLBKLKB1MAPTALOX5
SCHEMBL3581950 0.85 POLB (0.57) F10POLBKLKB1MAPTALOX5
SCHEMBL4647614 0.84 KLKB1 (0.55) F10POLBKLKB1MAPTALOX5
SCHEMBL3582353 0.83 POLB (0.55) F10POLBKLKB1MAPTMEN1
SCHEMBL3581006 0.83 F10 (0.52) F10POLBKLKB1MAPTCCR1
SCHEMBL3594321 0.83 F10 (0.51) F10POLBKLKB1MAPTALOX5

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