SCHEMBL2569663

SCHEMBL2569663

CCN1CCc2ccc(NC(=O)C(C)(C)NC(=O)Oc3ccc(Cl)s3)cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
AR P10275 2/20 0.41
CYP2D6 P10635 2/20 0.37
INSR P06213 4/20 0.37
ALK Q9UM73 4/20 0.37
BLM P54132 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM1 P11229 2/20 0.35
CHRM4 P08173 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM5 P08912 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
SCHEMBL2566741 0.88 F10 (0.44) F10ARNPC1RAB9AKDM4E
SCHEMBL2563178 0.87 F10 (0.41) F10ARNPC1RAB9A
SCHEMBL2567220 0.86 F10 (0.44) F10ARCYP2D6NPC1RAB9A
SCHEMBL2567658 0.85 F10 (0.44) F10ARNPC1RAB9AKDM4E
SCHEMBL2569536 0.85 AR (0.58) F10ARCYP2D6INSRALK
SCHEMBL2569694 0.85 F10 (0.42) F10ARCYP2D6NPC1RAB9A
SCHEMBL2569045 0.85 AR (0.43) F10AR
SCHEMBL2569948 0.82 MEN1 (0.36) F10ARCYP2D6BLMDRD2
SCHEMBL2568969 0.81 RAB9A (0.36) F10ARCYP2D6DRD2NPC1
SCHEMBL2571305 0.80 KDM4E (0.36) F10ARCYP2D6DRD2NPC1

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-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