SCHEMBL2859642

SCHEMBL2859642

O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.73
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPK14 Q16539 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
DDR1 Q08345 1/20 0.56
MAPK11 Q15759 1/20 0.56
DDR2 Q16832 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
MAP3K20 Q9NYL2 1/20 0.56
MAP3K2 Q9Y2U5 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL2860195 0.94 CCR1 (0.70) CCR1KDM4EALDH1A1HPGD
SCHEMBL2856191 0.92 CCR1 (0.80) CCR1KDM4EALDH1A1
SCHEMBL2854060 0.91 KDM4E (0.65) CCR1KDM4EALDH1A1MAPK14POLB
SCHEMBL2854461 0.91 CCR1 (0.75) CCR1KDM4EALDH1A1HPGD
SCHEMBL2854432 0.91 CCR1 (0.68) CCR1HPGD
SCHEMBL2859933 0.91 CCR1 (0.80) CCR1MAPTHPGD
SCHEMBL2860213 0.90 KDM4E (0.73) CCR1KDM4EALDH1A1MAPK14POLB
SCHEMBL2850143 0.88 CCR1 (0.85) CCR1KDM4EMAPK14POLBMAPT
SCHEMBL2860538 0.88 KDM4E (0.61) CCR1KDM4EALDH1A1MAPK14POLB
SCHEMBL2854971 0.88 CCR1 (0.66) CCR1KDM4EPOLB

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