SCHEMBL2854459

SCHEMBL2854459

CCCc1c(OC(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.54
MAPT P10636 1/20 0.50
FAAH O00519 1/20 0.45
MAPK14 Q16539 2/20 0.43

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
SCHEMBL2855497 0.93 MAPT (0.52) CCR1MAPTFAAHMAPK14
SCHEMBL2852375 0.92 CCR1 (0.63) CCR1MAPT
SCHEMBL2854225 0.87 CCR1 (0.60) CCR1MAPTMAPK14
SCHEMBL2863421 0.87 EPHX1 (0.46) MAPTMAPK14
SCHEMBL2860247 0.86 CCR1 (0.59) CCR1MAPTMAPK14
SCHEMBL2856278 0.85 MAPT (0.56) MAPTMAPK14
SCHEMBL2860847 0.84 CCR1 (0.55) CCR1MAPT
SCHEMBL2858213 0.84 CCR1 (0.69) CCR1MAPTMAPK14
SCHEMBL2856416 0.81 ALDH1A1 (0.52) MAPTMAPK14
SCHEMBL2852547 0.81 LMNA (0.45) CCR1MAPTMAPK14

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