SCHEMBL724632

SCHEMBL724632

CCC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.53
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 1/20 0.52
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
SLC6A4 P31645 1/20 0.47
LMNA P02545 3/20 0.46
USP28 Q96RU2 1/20 0.46
USP25 Q9UHP3 1/20 0.46
MAOB P27338 1/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL15148414 1.00 CCR5 (0.53) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL11890513 0.86 CCR5 (0.56) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL12403881 0.85 CCR5 (0.48) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL27530657 0.85 CCR5 (0.47) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL724619 0.85 USP28 (0.52) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL15150708 0.85 CCR5 (0.47) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL6937130 0.85 CCR5 (0.50) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL12293723 0.85 USP28 (0.52) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL12293726 0.84 CCR5 (0.47) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL9276697 0.84 CCR5 (0.53) CCR5ALDH1A1RAB9AHTR7HTR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO claimed
WO-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO disclosed
WO-2011145019-A1 IMPROVED PROCESS FOR DIPHENYLPROPYLAMINE DERIVATIVES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-11-24 WO disclosed
WO-2011141932-A2 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 WO disclosed
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed