SCHEMBL2574252

SCHEMBL2574252

CC1CN(C)CCc2ccc(NC(=O)C(C)(C)NC(=O)Oc3ccc(Cl)s3)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.42
DRD2 P14416 10/20 0.39
DRD3 P35462 10/20 0.39
HTR1A P08908 4/20 0.39
MET P08581 5/20 0.39
ALK Q9UM73 5/20 0.39
AR P10275 1/20 0.38
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL2567826 0.93 F10 (0.42) F10DRD2DRD3HTR1AMET
SCHEMBL2571816 0.86 DRD1 (0.42) F10DRD2METALKHTR2A
SCHEMBL2571246 0.86 F10 (0.58) F10DRD2DRD3HTR1AMET
SCHEMBL2567220 0.80 F10 (0.44) F10ARHDAC1HDAC2
SCHEMBL2566741 0.79 F10 (0.44) F10ARHDAC1HDAC2
SCHEMBL3035739 0.79 F10 (0.58) F10DRD2METALKAR
SCHEMBL2563178 0.79 F10 (0.41) F10AR
SCHEMBL2569663 0.79 F10 (0.41) F10DRD2ALKAR
SCHEMBL2569694 0.78 F10 (0.42) F10AR
SCHEMBL2571804 0.78 DRD3 (0.43) DRD2DRD3HTR1AMETALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP claimed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP claimed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed