SCHEMBL13648558

SCHEMBL13648558

CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2cc3c(cc21)-c1cc2c(cc1C3(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)-c1ccc(Br)cc1C2(CCCCCCCC)CCCCCCCC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.32
CNR2 P34972 8/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL30574290 1.00 CNR1 (0.32) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL13648569 1.00 CNR1 (0.32) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL13648571 1.00 CNR1 (0.32) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL13688229 1.00 CNR1 (0.32) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL425510 1.00 CNR1 (0.32) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL12443259 0.95 CNR2 (0.37) CNR1CNR2
SCHEMBL12443895 0.94
SCHEMBL12443262 0.90 CNR1 (0.33) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL13648538 0.86 CNR1 (0.33) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL13892733 0.86 MEN1 (0.39) CNR1CNR2

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
US-20090253883-A1 POLYMERS FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7592622-B2 Polymers for use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2009-09-22 US disclosed
US-20070252139-A1 Polymers for Use in Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2007-11-01 US disclosed