SCHEMBL2861063

SCHEMBL2861063

O=C(NCc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.57
P2RX7 Q99572 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
TRPC3 Q13507 1/20 0.47
DGAT2 Q96PD7 2/20 0.44
DDR1 Q08345 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
DDR2 Q16832 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MAP3K20 Q9NYL2 1/20 0.44
MAP3K2 Q9Y2U5 1/20 0.44

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
SCHEMBL2854422 0.93 CCR1 (0.58) CCR1P2RX7KDM4EALDH1A1NPSR1
SCHEMBL2850363 0.86 CCR1 (0.59) CCR1P2RX7KDM4EALDH1A1TRPC3
SCHEMBL2850548 0.85 CCR1 (0.61) CCR1KDM4EALDH1A1NPSR1TRPC3
SCHEMBL2857923 0.84 CCR1 (0.66) CCR1P2RX7KDM4EALDH1A1NPSR1
SCHEMBL2856191 0.84 CCR1 (0.80) CCR1KDM4EALDH1A1NPSR1
SCHEMBL2860504 0.83 P2RX7 (0.49) CCR1P2RX7KDM4ENPSR1
SCHEMBL2851005 0.83 P2RX7 (0.66) CCR1P2RX7KDM4EALDH1A1TRPC3
SCHEMBL2857267 0.82 CCR1 (0.63) CCR1P2RX7KDM4EALDH1A1NPSR1
SCHEMBL2848290 0.80 P2RX7 (0.60) CCR1P2RX7KDM4EALDH1A1TRPC3
SCHEMBL2856181 0.80 CCR1 (0.56) CCR1P2RX7KDM4EALDH1A1NPSR1

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