SCHEMBL2860247

SCHEMBL2860247

O=C(NCc1cccc(C(F)(F)F)c1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.59
MAPK14 Q16539 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2856556 0.94 CCR1 (0.54) CCR1MAPK14L3MBTL1
SCHEMBL2853351 0.92 CCR1 (0.62) CCR1KDM4E
SCHEMBL2857073 0.92 CCR1 (0.48) CCR1MAPK14KDM4EALDH1A1POLB
SCHEMBL2862837 0.91 CCR1 (0.61) CCR1L3MBTL1KDM4E
SCHEMBL2850732 0.91 CCR1 (0.53) CCR1
SCHEMBL2849956 0.91 CCR1 (0.62) CCR1MAPT
SCHEMBL2861243 0.91 KDM4E (0.52) CCR1MAPK14KDM4EALDH1A1POLB
SCHEMBL2863198 0.90 CCR1 (0.50) CCR1KDM4EALDH1A1POLBMAPT
SCHEMBL2856304 0.90 KEAP1 (0.53) CCR1MAPK14KDM4EALDH1A1POLB
SCHEMBL2854330 0.90 CCR1 (0.52) CCR1POLB

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