SCHEMBL2855565

SCHEMBL2855565

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.66
P2RX1 P51575 1/20 0.57
TMPRSS4 Q9NRS4 1/20 0.57
TRPC3 Q13507 1/20 0.53
HSP90AA1 P07900 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL2857071 0.92 CCR1 (0.57) CCR1P2RX1TMPRSS4TRPC3KDM4E
SCHEMBL2859933 0.91 CCR1 (0.80) CCR1HSP90AA1MAPTNPSR1
SCHEMBL2857923 0.90 CCR1 (0.66) CCR1TRPC3NPSR1KDM4EALDH1A1
SCHEMBL2855580 0.90 CCR1 (0.62) CCR1TRPC3HSP90AA1MAPTNPSR1
SCHEMBL2854060 0.89 KDM4E (0.65) CCR1MAPTKDM4EALDH1A1
SCHEMBL2852015 0.87 CCR1 (0.63) CCR1TRPC3HSP90AA1MAPTNPSR1
SCHEMBL2857075 0.87 P2RX1 (0.57) CCR1P2RX1TMPRSS4TRPC3HSP90AA1
SCHEMBL2855701 0.87 CCR1 (0.54) CCR1TRPC3KDM4EALDH1A1
SCHEMBL2857267 0.86 CCR1 (0.63) CCR1TRPC3NPSR1KDM4EALDH1A1
SCHEMBL2854425 0.86 CCR1 (0.60) CCR1TRPC3MAPTKDM4EALDH1A1

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