SCHEMBL2854032

SCHEMBL2854032

CCN(CCO)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPC3 Q13507 2/20 0.39
TRPC1 P48995 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
STIM2 Q9P246 1/20 0.39
NR3C1 P04150 3/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
GAA P10253 1/20 0.39
GPR6 P46095 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR1 P32246 3/20 0.37
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2856094 0.94 MAPT (0.42) MAPTNPSR1NPC1RAB9ATRPC3
SCHEMBL2855318 0.84 ROCK1 (0.43) MAPTNPSR1NPC1RAB9ATRPC3
SCHEMBL2852086 0.79 ITGB3 (0.53) MAPTNPSR1NPC1RAB9ATRPC3
SCHEMBL2854478 0.79 ITGB3 (0.46) MAPTNPSR1NPC1RAB9ATRPC3
SCHEMBL2858063 0.79 MAPT (0.57) MAPTNPSR1NPC1RAB9ATRPC3
SCHEMBL2858117 0.77 MAPT (0.41) MAPTNPSR1NPC1RAB9AGPR6
SCHEMBL2854455 0.77 KMT2A (0.50) MAPTNPSR1GAAALDH1A1CCR1
SCHEMBL10366449 0.76 MAPT (0.53) MAPTNPSR1NPC1RAB9ATRPC3
SCHEMBL2859797 0.76 MAPT (0.49) MAPTNPSR1NPC1RAB9ATRPC3
SCHEMBL2860983 0.75 MAPT (0.49) MAPTNPSR1NPC1RAB9ATRPC3

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