SCHEMBL5208895

SCHEMBL5208895

CC(=O)NCc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.56
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
PDK2 Q15119 1/20 0.48
KIF11 P52732 3/20 0.48
PTPN1 P18031 1/20 0.47
KMT2A Q03164 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL17689391 0.88 PTPN7 (0.57) P2RX7PDK2PTPN1KMT2A
SCHEMBL4575400 0.82 P2RX7 (0.51) P2RX7PPARGPPARDPPARAKIF11
SCHEMBL8309696 0.82 KMT2A (0.53) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL22537452 0.80 P2RX7 (0.58) P2RX7
SCHEMBL30791532 0.80 P2RX7 (0.58) P2RX7
SCHEMBL27469983 0.80 KIF11 (0.47) P2RX7PPARGPPARDPPARAKIF11
SCHEMBL23417873 0.79 ALDH1A1 (0.50) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL12672499 0.79 KIF11 (0.51) P2RX7PPARGPPARDPPARAKIF11
SCHEMBL8256683 0.79 ALDH1A1 (0.51) PDK2KMT2AKDM4EALDH1A1MAPT
SCHEMBL296018 0.78 KIF11 (0.49) P2RX7PPARGPPARDPPARAKIF11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP claimed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO claimed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed