SCHEMBL2854425

SCHEMBL2854425

O=C(NCc1ccc(Cl)c(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.60
TRPC3 Q13507 1/20 0.52
CNR1 P21554 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DDR1 Q08345 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
DDR2 Q16832 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
MAP3K20 Q9NYL2 1/20 0.49
MAP3K2 Q9Y2U5 1/20 0.49
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
CNR2 P34972 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2858070 0.93 CCR1 (0.57) CCR1TRPC3KDM4EALDH1A1DDR1
SCHEMBL2860317 0.93 CCR1 (0.62) CCR1TRPC3KDM4EALDH1A1DDR1
SCHEMBL2857636 0.92 KDM4E (0.61) CCR1TRPC3CNR1KDM4EALDH1A1
SCHEMBL2855705 0.89 CCR1 (0.56) CCR1TRPC3KDM4EALDH1A1DDR1
SCHEMBL2850536 0.89 CCR1 (0.52) CCR1TRPC3CNR1DDR1MAPK11
SCHEMBL2860444 0.88 CCR1 (0.60) CCR1TRPC3CNR1KDM4EALDH1A1
SCHEMBL2855580 0.87 CCR1 (0.62) CCR1TRPC3CNR1KDM4EALDH1A1
SCHEMBL2856181 0.87 CCR1 (0.56) CCR1TRPC3KDM4EALDH1A1DDR1
SCHEMBL2855565 0.86 CCR1 (0.66) CCR1TRPC3KDM4EALDH1A1MAPT
SCHEMBL2852015 0.86 CCR1 (0.63) CCR1TRPC3KDM4EALDH1A1DDR1

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