SCHEMBL2859933

SCHEMBL2859933

O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.80
HSP90AA1 P07900 1/20 0.61
MAPT P10636 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 1/20 0.55
PLA2G1B P04054 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55

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
SCHEMBL2860195 0.93 CCR1 (0.70) CCR1NPSR1LMNAHPGD
SCHEMBL2854432 0.92 CCR1 (0.68) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL2856191 0.91 CCR1 (0.80) CCR1NPSR1
SCHEMBL2855565 0.91 CCR1 (0.66) CCR1HSP90AA1MAPTNPSR1
SCHEMBL2859642 0.91 CCR1 (0.73) CCR1MAPTHPGD
SCHEMBL2862276 0.89 CCR1 (0.70) CCR1HSP90AA1MAPTNPSR1HPGD
SCHEMBL5678637 0.89 CCR1 (1.00) CCR1HSP90AA1MAPTNPSR1LMNA
SCHEMBL2854264 0.89 CCR1 (0.66) CCR1HSP90AA1MAPTNPSR1LMNA
SCHEMBL2852015 0.89 CCR1 (0.63) CCR1HSP90AA1MAPTNPSR1HPGD
SCHEMBL2855580 0.88 CCR1 (0.62) CCR1HSP90AA1MAPTNPSR1LMNA

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