SCHEMBL2563178

SCHEMBL2563178

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
AR P10275 3/20 0.41
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
KCNA1 Q09470 2/20 0.33
KCNAB1 Q14722 2/20 0.33
ACLY P53396 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 1/20 0.32

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) F10ARRAB9ANPC1KCNA1
SCHEMBL2569663 0.87 F10 (0.41) F10ARRAB9ANPC1
SCHEMBL2567220 0.86 F10 (0.44) F10ARRAB9ANPC1HRH3
SCHEMBL2567658 0.85 F10 (0.44) F10ARRAB9ANPC1KCNA1
SCHEMBL3032258 0.85 AR (0.58) F10ARRAB9ANPC1
SCHEMBL2569694 0.85 F10 (0.42) F10ARRAB9ANPC1HRH3
SCHEMBL2569045 0.85 AR (0.43) F10AR
SCHEMBL2571139 0.80 DRD2 (0.42) F10ARRAB9ANPC1KCNA1
SCHEMBL2568969 0.80 RAB9A (0.36) F10ARRAB9ANPC1
SCHEMBL2567826 0.79 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