SCHEMBL2857366

SCHEMBL2857366

O=C(NCc1cccc(C(F)(F)F)c1)Oc1cnn(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.47
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK14 Q16539 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
SCHEMBL2857357 0.87 HTT (0.46)
SCHEMBL2860247 0.87 CCR1 (0.59) CCR1KDM4EMAPK14
SCHEMBL2856556 0.85 CCR1 (0.54) CCR1MAPK14
SCHEMBL2857181 0.84 CCR1 (0.47) CCR1
SCHEMBL2855742 0.84 CCR1 (0.58) CCR1
SCHEMBL2852370 0.83 ALDH1A1 (0.52) KDM4E
SCHEMBL2853351 0.83 CCR1 (0.62) CCR1KDM4E
SCHEMBL2849956 0.82 CCR1 (0.62) CCR1
SCHEMBL2862837 0.82 CCR1 (0.61) CCR1TRPV1KDM4E
SCHEMBL2850732 0.82 CCR1 (0.53) 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