SCHEMBL2860489

SCHEMBL2860489

CCc1cccc(C)c1NC(=O)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 4/20 0.44
NLRP3 Q96P20 1/20 0.41
TRPC3 Q13507 2/20 0.41
TRPC1 P48995 1/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
STIM2 Q9P246 1/20 0.41
CCR1 P32246 5/20 0.40
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S1PR4 O95977 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2857241 0.94 MAPT (0.44) RXFP1MAPTTRPC3TRPC1STIM1
SCHEMBL2858515 0.92 MAPT (0.44) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2852314 0.86 CCR1 (0.44) MAPTNLRP3TRPC3TRPC1STIM1
SCHEMBL2856369 0.85 MAPT (0.42) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2850554 0.85 MAPT (0.45) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2859508 0.84 CYP1A2 (0.46) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2858283 0.84 MAPT (0.43) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2852080 0.82 CCR1 (0.44) MAPTNLRP3TRPC3TRPC1STIM1
SCHEMBL2854517 0.81 MAPT (0.42) RXFP1MAPTTRPC3TRPC1STIM1
SCHEMBL2857981 0.81 MAPT (0.51) MAPTTRPC3TRPC1STIM1ORAI1

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 1 patent. 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