SCHEMBL2860236

SCHEMBL2860236

CCOC(=O)CNCC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
TRPC3 Q13507 3/20 0.56
TRPC1 P48995 2/20 0.56
STIM1 Q13586 2/20 0.56
ORAI1 Q96D31 2/20 0.56
STIM2 Q9P246 2/20 0.56
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
ACHE P22303 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
CCR1 P32246 2/20 0.43

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
SCHEMBL2325526 0.86 MAPT (0.76) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2860237 0.80 MAPT (0.56) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2856215 0.78 MAPT (0.66) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL8140350 0.78 MAPT (0.71) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2321873 0.77 MAPT (0.55) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL10365015 0.77 TRPC3 (0.70) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL21419596 0.76 TRPC1 (0.68) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL13513682 0.76 MAPT (0.57) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL24303060 0.76 MAPT (0.62) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL1194642 0.75 TRPC1 (0.67) 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 disclosed