SCHEMBL2909172

SCHEMBL2909172

C=Cc1c(C)ccnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS2 P35228 4/20 0.34
NOS3 P29474 3/20 0.34
HDAC8 Q9BY41 1/20 0.31
PDXK O00764 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
SCHEMBL14620918 0.81 KDM4E (0.39) CCR1CCR5CCR8NOS2NOS3
SCHEMBL15417589 0.80 CCR1 (0.39) CCR1CCR5CCR8NOS2NOS3
SCHEMBL25627501 0.78 CCR1 (0.38) CCR1CCR5CCR8NOS2NOS3
SCHEMBL10426329 0.77 CCR1 (0.37) CCR1CCR5CCR8NOS2NOS3
SCHEMBL12439413 0.75 NOS2 (0.54) CCR1CCR5CCR8NOS2NOS3
SCHEMBL1522103 0.74 PDXK (0.35) CCR1CCR5CCR8HDAC8PDXK
SCHEMBL18556967 0.72 CCR1 (0.33) CCR1CCR5CCR8NOS2NOS3
SCHEMBL30296511 0.71 CCR1 (0.35) CCR1CCR5CCR8NOS2NOS3
SCHEMBL4624037 0.71 CCR1 (0.35) CCR1CCR5CCR8NOS2NOS3
SCHEMBL28769596 0.71 CTRC (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4680357-A ADHESIVES THE DOW CHEMICAL COMPANY (US) 1987-07-14 US claimed
EP-1763606-B1 METHOD FOR COLORING TEXTILE SUBSTRATES, AQUEOUS PRETREATMENT BATHS, AND USE THEREOF FOR THE PRETREATMENT OF TEXTILE SUBSTRATES BASF SE (DE) 2010-09-01 EP disclosed
EP-1549798-B1 PRE-TREATMENT LIQUOR FOR PREPARING TEXTILE SUBSTRATES FOR INKJET PRINTING BASF SE (DE) 2009-07-01 EP disclosed
EP-1763606-A1 METHOD FOR COLORING TEXTILE SUBSTRATES, AQUEOUS PRETREATMENT BATHS, AND USE THEREOF FOR THE PRETREATMENT OF TEXTILE SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 2007-03-21 EP disclosed
WO-2006000384-A1 METHOD FOR COLORING TEXTILE SUBSTRATES, AQUEOUS PRETREATMENT BATHS, AND USE THEREOF FOR THE PRETREATMENT OF TEXTILE SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 WO disclosed
EP-1549798-A1 PRE-TREATMENT LIQUOR FOR PREPARING TEXTILE SUBSTRATES FOR INKJET PRINTING BASF AKTIENGESELLSCHAFT (DE) 2005-07-06 EP disclosed
WO-2004031473-A1 PRE-TREATMENT LIQUOR FOR PREPARING TEXTILE SUBSTRATES FOR INKJET PRINTING BASF AKTIENGESELLSCHAFT (DE) 2004-04-15 WO disclosed
US-4680357-A ADHESIVES THE DOW CHEMICAL COMPANY (US) 1987-07-14 US disclosed