SCHEMBL2860237

SCHEMBL2860237

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
TRPC3 Q13507 3/20 0.50
TRPC1 P48995 2/20 0.50
STIM1 Q13586 2/20 0.50
ORAI1 Q96D31 2/20 0.50
STIM2 Q9P246 2/20 0.50
ACHE P22303 1/20 0.45
GPR6 P46095 1/20 0.44
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41

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 0.82 MAPT (0.76) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2854414 0.81 MAPT (0.53) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2860236 0.80 MAPT (0.62) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL10366449 0.80 MAPT (0.53) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL10366507 0.79 MAPT (0.50) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2857725 0.79 MAPT (0.52) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2854321 0.79 MAPT (0.53) MAPTGPR6KMT2AALDH1A1MEN1
SCHEMBL2859264 0.78 MAPT (0.46) MAPTTRPC3ACHEGPR6KMT2A
SCHEMBL2862087 0.78 MAPT (0.51) MAPTTRPC3ACHEGPR6KMT2A
SCHEMBL2852994 0.76 ALDH1A1 (0.56) MAPTTRPC3ACHEGPR6KMT2A

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