SCHEMBL2852819

SCHEMBL2852819

CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.57
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 3/20 0.51
HSP90AA1 P07900 2/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NR3C1 P04150 1/20 0.42
TRPC3 Q13507 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2854667 0.89 ALDH1A1 (0.55) CCR1NPSR1MAPTHSP90AA1ALDH1A1
SCHEMBL2854177 0.89 CCR1 (0.58) CCR1NPSR1MAPTHSP90AA1ALDH1A1
SCHEMBL2852358 0.89 ALDH1A1 (0.48) CCR1NPSR1MAPTHSP90AA1ALDH1A1
SCHEMBL2859611 0.85 CCR1 (0.53) CCR1NPSR1MAPTHSP90AA1TRPV1
SCHEMBL10366449 0.85 MAPT (0.53) CCR1NPSR1MAPTHSP90AA1ALDH1A1
SCHEMBL2856206 0.85 ALDH1A1 (0.48) CCR1NPSR1MAPTHSP90AA1ALDH1A1
SCHEMBL2851983 0.82 ALDH1A1 (0.61) NPSR1MAPTHSP90AA1ALDH1A1MAPK1
SCHEMBL2862176 0.82 TRPV1 (0.47) NPSR1MAPTHSP90AA1ALDH1A1MAPK1
SCHEMBL10364538 0.82 KEAP1 (0.52) CCR1MAPTALDH1A1TRPV1KDM4E
SCHEMBL10366936 0.80 KEAP1 (0.52) MAPTALDH1A1KDM4ENR3C1TRPC3

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