SCHEMBL2852791

SCHEMBL2852791

COc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.57
DGAT2 Q96PD7 1/20 0.51
TRPC3 Q13507 1/20 0.50
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSP90AA1 P07900 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 1/20 0.45
ABCB1 P08183 1/20 0.45
DDR1 Q08345 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
DDR2 Q16832 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
SCHEMBL2859678 0.91 CCR1 (0.55) CCR1DGAT2TRPC3MAPTALDH1A1
SCHEMBL2858191 0.91 CCR1 (0.56) CCR1DGAT2TRPC3KDM4EALDH1A1
SCHEMBL2855565 0.86 CCR1 (0.66) CCR1TRPC3MAPTKDM4EALDH1A1
SCHEMBL2855701 0.85 CCR1 (0.54) CCR1DGAT2TRPC3KDM4EALDH1A1
SCHEMBL2855705 0.85 CCR1 (0.56) CCR1DGAT2TRPC3KDM4EALDH1A1
SCHEMBL2855623 0.85 CCR1 (0.44) CCR1DGAT2MAPTNPC1LMNA
SCHEMBL2852015 0.83 CCR1 (0.63) CCR1TRPC3MAPTKDM4EALDH1A1
SCHEMBL2854425 0.83 CCR1 (0.60) CCR1TRPC3MAPTKDM4EALDH1A1
SCHEMBL2850316 0.83 TP53 (0.59) CCR1DGAT2MAPTKDM4EALDH1A1
SCHEMBL2856127 0.83 CCR1 (0.64) CCR1DGAT2MAPTTP53KLKB1

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