SCHEMBL2852375

SCHEMBL2852375

CCCc1c(OC(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.63
HSP90AA1 P07900 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL2860847 0.92 CCR1 (0.55) CCR1HSP90AA1MAPTNPSR1
SCHEMBL2854459 0.92 CCR1 (0.54) CCR1MAPT
SCHEMBL2849956 0.87 CCR1 (0.62) CCR1HSP90AA1MAPTNPSR1LMNA
SCHEMBL2853390 0.86 CCR1 (0.49) CCR1HSP90AA1MAPTNPSR1LMNA
SCHEMBL2852547 0.86 LMNA (0.45) CCR1MAPTLMNAMEN1GAA
SCHEMBL2852107 0.85 CCR1 (0.83) CCR1HSP90AA1MAPTNPSR1LMNA
SCHEMBL2855497 0.85 MAPT (0.52) CCR1MAPTLMNA
SCHEMBL2850361 0.81 ABCB1 (0.48) MAPTLMNAHPGDMEN1GAA
SCHEMBL2852485 0.81 ABCB1 (0.50) CCR1HSP90AA1MAPTNPSR1LMNA
SCHEMBL2852347 0.80 MAPT (0.46) CCR1MAPTNPSR1LMNAGAA

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 1 patent. 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