SCHEMBL2567658

SCHEMBL2567658

CC(C)(NC(=O)Oc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.44
AR P10275 2/20 0.43
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
TRPV1 Q8NER1 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
KCNA1 Q09470 3/20 0.35
KCNAB1 Q14722 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TMPRSS2 O15393 1/20 0.33

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 0.90 F10 (0.44) F10ARKCNA1KCNAB1NPC1
SCHEMBL3025755 0.86 AR (0.60) F10ARESR1ESR2TRPV1
SCHEMBL2569663 0.85 F10 (0.41) F10ARNPC1RAB9AKDM4E
SCHEMBL2563178 0.85 F10 (0.41) F10ARKCNA1KCNAB1NPC1
SCHEMBL2567220 0.85 F10 (0.44) F10ARNPC1RAB9AAXL
SCHEMBL2569694 0.83 F10 (0.42) F10ARNPC1RAB9A
SCHEMBL2569045 0.83 AR (0.43) F10AR
SCHEMBL2571139 0.78 DRD2 (0.42) F10ARKCNA1KCNAB1NPC1
SCHEMBL2568969 0.78 RAB9A (0.36) F10ARNPC1RAB9A
SCHEMBL2574252 0.77 F10 (0.42) F10AR

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