SCHEMBL6206893

SCHEMBL6206893

COC(CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
CTSK P43235 13/20 0.42
CTSS P25774 9/20 0.42
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL27593364 1.00 CA1 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL27668563 1.00 CA1 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL28409785 0.86 CYP2D6 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL7974788 0.84 CA1 (0.44) CA1CA2CA7CYP2D6CTSK
SCHEMBL1088544 0.83 CA1 (0.42) CA1CA2CA7CYP2D6CTSK
SCHEMBL17596471 0.83 CA1 (0.42) CA1CA2CA7CYP2D6CTSK
SCHEMBL18677608 0.81 CA1 (0.41) CA1CA2CA7CYP2D6CTSK
SCHEMBL27593370 0.80 CA2 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL6684772 0.79 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL9690240 0.79 CA1 (0.40) CA1CA2CA7CYP2D6CTSK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018103058-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
CN-101928230-B Improved synthesis scheme for lacosamide UCB PHARMA GMBH 2012-11-07 CN disclosed
CN-1989102-B Improved lacosamide synthesis method UCB PHARMA GMBH 2011-04-20 CN disclosed
CN-101928230-A The synthetic method of improved scheme for lacosamide UCB PHARMA SA 2010-12-29 CN disclosed
CN-1989102-A Improved lacosamide synthesis method SANOL ARZNEI SCHWARZ GMBH (DE) 2007-06-27 CN disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed