SCHEMBL2772181

SCHEMBL2772181

CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(C3=CCC(Br)(c4ccccc4)C=C3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
RARB P10826 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
OPRL1 P41146 2/20 0.33
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
KCNH2 Q12809 2/20 0.31
OPRM1 P35372 2/20 0.31
DHODH Q02127 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL2771042 0.88 HSD11B1 (0.31) HSD11B1
SCHEMBL2769350 0.86 KDM4E (0.33) ALDH1A1
SCHEMBL2773423 0.83 OPRM1 (0.30) OPRL1OPRM1
SCHEMBL2348248 0.83 HSD11B1 (0.36) HSD11B1RARBNISCHOPRL1BCHE
SCHEMBL223518 0.80 CNR2 (0.36) HSD11B1RARBNISCHOPRL1LTB4R2
SCHEMBL2770678 0.79 HSD11B1 (0.33) HSD11B1LTB4R2CNR2
SCHEMBL2343295 0.78 HSD11B1 (0.32) HSD11B1KCNH2
SCHEMBL221912 0.78 UCHL3 (0.35) HSD11B1OPRL1
SCHEMBL221879 0.78 HSD11B1 (0.32) HSD11B1LTB4R2
SCHEMBL11331771 0.77 HSD11B1 (0.39) HSD11B1RARBNISCHOPRL1POLB

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-1965260-B1 Imaging member comprising asymmetric arylamine compounds and processes for making these compounds XEROX CORP (US) 2010-04-21 EP disclosed
EP-1965260-A1 Asymmetric arylamine compounds and processes for making the same Xerox Corporation (US) 2008-09-03 EP disclosed
US-20080206662-A1 Asymmetric arylamine compounds and processes for making the same XEROX CORPORATION (US) 2008-08-28 US disclosed