SCHEMBL4583712

SCHEMBL4583712

C[C@H]1Cc2cc(C(=O)N3C[C@H](NC(=O)c4ccc(Cl)s4)C[C@@H]3OC(=O)N(C)C)ccc2CN1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.35
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
F2 P00734 3/20 0.32
F11 P03951 2/20 0.32
BCAT2 O15382 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL4441713 1.00 F10 (0.35) F10MAPK1LMNAKMT2AF2
SCHEMBL4583428 0.89 F10 (0.43) F10MAPK1LMNAKMT2AF2
SCHEMBL3300896 0.87 F10 (0.39) F10MAPK1LMNAKMT2AF2
SCHEMBL3311791 0.87 F10 (0.39) F10MAPK1LMNAKMT2AF2
Dimethylamine SCHEMBL3338057 0.83 F10 (0.37) F10MAPK1LMNAKMT2AF2
SCHEMBL4582629 0.81 F10 (0.40) F10MAPK1LMNAKMT2AF2
SCHEMBL4583733 0.79 F10 (0.44) F10MAPK1LMNAKMT2AF2
SCHEMBL4583782 0.79 F10 (0.44) F10MAPK1LMNAKMT2AF2
SCHEMBL13372862 0.78 F10 (0.46) F10MAPK1LMNAKMT2A
SCHEMBL13372937 0.77 F10 (0.43) F10MAPK1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed