SCHEMBL4436005

SCHEMBL4436005

CN(C)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CN1OC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.40
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33

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
SCHEMBL4440745 0.84 MAPK1 (0.41) F10MAPK1KMT2ALMNAF2
SCHEMBL4436565 0.83 F10 (0.42) F10MAPK1KMT2ALMNAMEN1
SCHEMBL4442146 0.82 F10 (0.38) F10MAPK1KMT2ALMNAMEN1
SCHEMBL4438714 0.80 F10 (0.43) F10MAPK1
SCHEMBL4429983 0.79 F10 (0.38) F10MAPK1KMT2ALMNAF2
SCHEMBL3314611 0.78 F10 (0.45) F10MAPK1KMT2ALMNAMEN1
SCHEMBL4436349 0.77 F10 (0.37) F10MAPK1F2F11
SCHEMBL4582592 0.76 F10 (0.42) F10MAPK1KMT2ALMNAMEN1
SCHEMBL3449058 0.75 MMP2 (0.50) F10MAPK1KMT2ALMNA
SCHEMBL4487027 0.75 MMP2 (0.50) F10MAPK1KMT2ALMNA

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 4 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-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed