SCHEMBL2859611

SCHEMBL2859611

CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.53
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 1/20 0.40
CHRM5 P08912 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL2860476 0.90 CCR1 (0.54) CCR1MAPTNPSR1HSP90AA1KDM4E
SCHEMBL2856483 0.90 ALDH1A1 (0.45) CCR1MAPTNPSR1HSP90AA1KDM4E
SCHEMBL2852819 0.85 CCR1 (0.57) CCR1MAPTNPSR1HSP90AA1KDM4E
SCHEMBL2849956 0.83 CCR1 (0.62) CCR1MAPTNPSR1HSP90AA1
SCHEMBL2857735 0.81 CCR1 (0.54) CCR1MAPTNPSR1HSP90AA1KDM4E
SCHEMBL2852844 0.79 LIPE (0.45) CCR1MAPTNPSR1HSP90AA1KDM4E
SCHEMBL2854177 0.78 CCR1 (0.58) CCR1MAPTNPSR1HSP90AA1KDM4E
SCHEMBL2854221 0.78 MAPT (0.51) CCR1MAPTNPSR1HSP90AA1KDM4E
SCHEMBL2860210 0.77 NR3C1 (0.42) CCR1MAPTNPSR1
SCHEMBL2854330 0.76 CCR1 (0.52) CCR1

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