SCHEMBL4436349

SCHEMBL4436349

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.37
F2 P00734 2/20 0.35
F11 P03951 2/20 0.35
MAPK1 P28482 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 0.86 F10 (0.42) F10F2F11MAPK1
SCHEMBL4429983 0.85 F10 (0.38) F10F2F11MAPK1
SCHEMBL4438714 0.85 F10 (0.43) F10MAPK1
SCHEMBL4442146 0.85 F10 (0.38) F10F2F11MAPK1
SCHEMBL4440745 0.83 MAPK1 (0.41) F10F2F11MAPK1
SCHEMBL3304020 0.81 F10 (0.40) F10F2F11MAPK1
SCHEMBL4436005 0.77 F10 (0.40) F10F2F11MAPK1
SCHEMBL3450031 0.73 F10 (0.47) F10F2F11MAPK1
SCHEMBL3448349 0.72 F10 (0.43) F10F2F11MAPK1
SCHEMBL4582592 0.72 F10 (0.42) F10F2MAPK1

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