SCHEMBL4440745

SCHEMBL4440745

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
F10 P00742 17/20 0.37
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34

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
SCHEMBL4436565 0.90 F10 (0.42) MAPK1F10LMNAKMT2AF2
SCHEMBL4442146 0.89 F10 (0.38) MAPK1F10LMNAKMT2AF2
SCHEMBL4438714 0.87 F10 (0.43) MAPK1F10
SCHEMBL4429983 0.85 F10 (0.38) MAPK1F10LMNAKMT2AF2
SCHEMBL4436005 0.84 F10 (0.40) MAPK1F10LMNAKMT2AF2
SCHEMBL4436349 0.83 F10 (0.37) MAPK1F10F2F11
SCHEMBL3306403 0.78 MAPK1 (0.47) MAPK1F10LMNAKMT2A
SCHEMBL3448349 0.76 F10 (0.43) MAPK1F10F2F11
SCHEMBL4582592 0.75 F10 (0.42) MAPK1F10LMNAKMT2AF2
SCHEMBL3447699 0.75 F10 (0.39) MAPK1F10LMNAKMT2AF2

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 3 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