SCHEMBL2852358

SCHEMBL2852358

CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HSP90AA1 P07900 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 4/20 0.47
CCR1 P32246 2/20 0.44
TRPC3 Q13507 2/20 0.44
NR3C1 P04150 3/20 0.44
PTPN1 P18031 2/20 0.44
GPR6 P46095 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 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
LMNA P02545 1/20 0.41
ACHE P22303 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
SCHEMBL2856206 0.92 ALDH1A1 (0.48) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL2854667 0.91 ALDH1A1 (0.55) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL2852819 0.89 CCR1 (0.57) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL10366449 0.88 MAPT (0.53) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL2859264 0.88 MAPT (0.46) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL2862176 0.84 TRPV1 (0.47) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL2851983 0.83 ALDH1A1 (0.61) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL2853095 0.79 ALDH1A1 (0.58) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL2854321 0.78 MAPT (0.53) ALDH1A1HSP90AA1NPSR1MAPK1MAPT
SCHEMBL10365470 0.78 MAPT (0.51) ALDH1A1MAPTTRPC3NR3C1POLB

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