SCHEMBL17174180

SCHEMBL17174180

CCP(=O)(CC)c1cc2ccc(-c3cccc(-c4ccc5cc(C)c6cccnc6c5n4)c3)nc2c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.47
▸ CCR8 P51685 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ HSP90AA1 P07900 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ COMT P21964 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CCR6 P51684 1/20 0.31
▸ AR P10275 1/20 0.31
▸ PDE4A P27815 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
SCHEMBL17174176 0.91 CCR1 (0.40) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL17174171 0.87 CCR1 (0.49) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL17174177 0.84 CCR1 (0.46) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL21031252 0.81 CCR1 (0.57) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL21032002 0.78 CCR1 (0.64) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL17174172 0.77 CCR1 (0.40) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL17174201 0.76 KDM4E (0.40) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL21031257 0.75 CCR1 (0.60) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL11987258 0.74 CCR1 (0.52) CCR1CCR8L3MBTL1CCR5HSP90AA1
SCHEMBL17174173 0.74 CCR1 (0.49) CCR1CCR8L3MBTL1CCR5HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
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