SCHEMBL4433466

SCHEMBL4433466

COC1CN(C)CCc2sc(C(=O)N3CC(OC)[C@H](NC(=O)Oc4ccc(Cl)s4)C3)cc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.32

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
SCHEMBL3312667 0.89 F10 (0.41) F10
SCHEMBL3312668 0.89 F10 (0.41) F10
SCHEMBL4583142 0.87 F10 (0.44) F10
SCHEMBL4584319 0.85 F10 (0.44) F10
SCHEMBL4435127 0.83 F10 (0.32) F10
SCHEMBL4433481 0.80 F10 (0.33) F10
SCHEMBL13372804 0.80 F10 (0.33) F10
SCHEMBL4583647 0.79 F10 (0.38) F10
SCHEMBL13372905 0.78 F10 (0.33) F10
SCHEMBL4436378 0.78 ALDH1A1 (0.33) F10

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