SCHEMBL7030608

SCHEMBL7030608

Cc1ccc([C]2CC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.68
CCR5 P51681 2/20 0.68
CCR8 P51685 2/20 0.68
HDAC6 Q9UBN7 1/20 0.68
METAP2 P50579 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
KDM1A O60341 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
RAB9A P51151 2/20 0.36
PLAU P00749 1/20 0.36
MAPT P10636 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 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
Abametapir SCHEMBL351152 0.82 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
Abametapir SCHEMBL29374261 0.82 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL14804379 0.77 CCR1 (0.89) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL18088962 0.76 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL1456103 0.75 CCR1 (0.84) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL17051514 0.75 CCR1 (0.75) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL17051502 0.74 CCR1 (0.73) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL17051506 0.73 CCR1 (0.71) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL2477927 0.73 CCR1 (0.71) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL13483666 0.73 CCR1 (0.71) CCR1CCR5CCR8HDAC6METAP2

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
CN-103917528-A Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME 2014-07-09 CN disclosed
EP-1360268-A1 BLEACHING COMPOSITION OF ENHANCED STABILITY AND A PROCESS FOR MAKING SUCH A COMPOSITION UNILEVER PLC (GB) 2003-11-12 EP disclosed
EP-1285055-A1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2003-02-26 EP disclosed
EP-1240302-A1 BLEACHING COMPOSITION UNILEVER N.V. (NL) 2002-09-18 EP disclosed
WO-2002066592-A1 BLEACHING COMPOSITION OF ENHANCED STABILITY AND A PROCESS FOR MAKING SUCH A COMPOSITION UNILEVER PLC (GB) 2002-08-29 WO disclosed
WO-2001092455-A1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2001-12-06 WO disclosed
WO-2001064825-A1 BLEACHING COMPOSITION AND METHOD FOR BLEACHING LAUNDRY FABRICS UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001048137-A1 BLEACHING COMPOSITION UNILEVER N.V. (NL) 2001-07-05 WO disclosed