SCHEMBL6937130

SCHEMBL6937130

O=CCC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.50
ALDH1A1 P00352 3/20 0.49
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 3/20 0.48
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 1/20 0.45
SLC6A4 P31645 1/20 0.44
LMNA P02545 4/20 0.44
USP2 O75604 1/20 0.44
PTP4A3 O75365 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL27830162 0.86 RAB9A (0.39) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL724632 0.85 CCR5 (0.53) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL15148414 0.85 CCR5 (0.53) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL8506775 0.85 CCNB2 (0.48) ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL27809813 0.85 MAOB (0.41) CCR5RAB9AHTTHTR7HTR6
SCHEMBL2166135 0.83 KMT2A (0.47) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL1783943 0.83 KMT2A (0.47) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL2167632 0.83 KMT2A (0.47) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL12293723 0.82 USP28 (0.52) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL15150708 0.82 CCR5 (0.47) CCR5ALDH1A1USP28USP25RAB9A

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