SCHEMBL2566741

SCHEMBL2566741

CC(=O)N1CCc2ccc(NC(=O)C(C)(C)NC(=O)Oc3ccc(Cl)s3)cc2CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.44
AR P10275 2/20 0.41
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KCNA1 Q09470 4/20 0.36
KCNAB1 Q14722 4/20 0.36
KDM4E B2RXH2 1/20 0.35
TMPRSS2 O15393 2/20 0.35
MCHR1 Q99705 1/20 0.35
ACLY P53396 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
SCHEMBL2567658 0.90 F10 (0.44) F10ARNPC1RAB9AKCNA1
SCHEMBL2569663 0.88 F10 (0.41) F10ARALDH1A1SMN1; SMN2NPC1
SCHEMBL2563178 0.88 F10 (0.41) F10ARNPC1RAB9AKCNA1
SCHEMBL2567220 0.87 F10 (0.44) F10ARHDAC1HDAC2NPC1
SCHEMBL2569694 0.85 F10 (0.42) F10ARNPC1RAB9A
SCHEMBL2569045 0.85 AR (0.43) F10AR
SCHEMBL3027914 0.85 F10 (0.61) F10ARUSP2ALDH1A1LMNA
SCHEMBL2571139 0.81 DRD2 (0.42) F10ARALDH1A1SMN1; SMN2NPC1
SCHEMBL2568969 0.80 RAB9A (0.36) F10ARHDAC1HDAC2NPC1
SCHEMBL2567826 0.79 F10 (0.42) F10ARHDAC1HDAC2

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