SCHEMBL6934653

SCHEMBL6934653

CC(C)N(CCC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.46
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 1/20 0.45
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
BCHE P06276 2/20 0.39
SLC6A4 P31645 1/20 0.38
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL596294 0.88 CHRM2 (0.51) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL723993 0.88 CHRM2 (0.51) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL2167179 0.88 CHRM2 (0.51) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL14483959 0.87 CCR5 (0.47) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL6934786 0.86 BCHE (0.43) ALDH1A1CHRM2CHRM1BCHELMNA
SCHEMBL6937323 0.84 CHRM2 (0.44) ALDH1A1CHRM2CHRM1
SCHEMBL12856745 0.83 CHRM2 (0.45) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL4832060 0.82 CHRM2 (0.50) CCR5ALDH1A1HTR7HTR6CHRM2
Cadaverine Tartrate SCHEMBL11317075 0.81 CHRM2 (0.54) CCR5ALDH1A1RAB9AHTR7HTR6
SCHEMBL15148414 0.80 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100482635-C Noval compounds, their use and preparation PFIZER HEALTH AB (SE) 2009-04-29 CN disclosed
CN-1636967-A Noval compounds, their use and preparation PFIZER (SE) 2005-07-13 CN disclosed
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
CN-1251569-A Novel compounds, their use and process for their preparation PHARMACIA & UPJOHN AB (SE) 2000-04-26 CN disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed