SCHEMBL2859043

SCHEMBL2859043

O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2[N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.62
ATG4B Q9Y4P1 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK14 Q16539 1/20 0.45
MALT1 Q9UDY8 1/20 0.45

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
SCHEMBL2860320 0.93 CCR1 (0.52) CCR1ALDH1A1LMNAMALT1
SCHEMBL2848347 0.91 GAA (0.51) CCR1ALDH1A1HPGDMAPK14MALT1
SCHEMBL2855247 0.86 CCR1 (0.49) CCR1HPGDMAPK14MALT1
SCHEMBL2850470 0.85 CCR1 (0.49) CCR1ATG4BALDH1A1MAPK14
SCHEMBL2858942 0.84 CCR1 (0.82) CCR1
SCHEMBL2854304 0.83 NPC1 (0.49) CCR1ALDH1A1LMNAHPGDMAPK14
SCHEMBL2859642 0.83 CCR1 (0.73) CCR1ALDH1A1HPGDMAPK14
SCHEMBL5676581 0.83 CCR1 (0.60) CCR1MALT1
SCHEMBL2860195 0.81 CCR1 (0.70) CCR1ALDH1A1LMNAHPGD
SCHEMBL2859008 0.80 LMNA (0.66) CCR1ATG4BLMNAHPGD

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed