SCHEMBL4433481

SCHEMBL4433481

COC[C@@H]1C[C@@H](NC(=O)Oc2ccc(Cl)s2)CN1C(=O)c1cc2c(s1)CCN(C)C[C@H]2OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL13372804 1.00 F10 (0.33) F10HDAC1HDAC2
SCHEMBL13372859 0.92 F10 (0.34) F10
SCHEMBL3309417 0.89 F10 (0.42) F10
SCHEMBL3308410 0.89 F10 (0.42) F10
SCHEMBL13395130 0.89 F10 (0.42) F10
SCHEMBL13372818 0.89 F10 (0.35) F10HDAC1HDAC2
SCHEMBL13372902 0.87 F10 (0.39) F10HDAC1HDAC2
SCHEMBL13372920 0.86 F10 (0.31) F10
SCHEMBL13372870 0.85 F10 (0.33) F10HDAC1HDAC2
SCHEMBL13372836 0.84 F10 (0.33) F10HDAC1HDAC2

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