SCHEMBL5790445

SCHEMBL5790445

COc1ccccc1Nc1ncc(OC(=O)NCc2ccccc2)c(C(F)(F)F)n1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.75
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 1/20 0.47
GBA1 P04062 1/20 0.46
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
TYK2 P29597 1/20 0.44
KDR P35968 1/20 0.44
JAK3 P52333 1/20 0.44
PTK2 Q05397 1/20 0.44
PTK2B Q14289 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
EGFR P00533 2/20 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
SCHEMBL5083133 0.85 CNR2 (1.00) CNR2MAPTKDM4ENPSR1RAB9A
SCHEMBL5790942 0.83 CNR2 (0.59) CNR2
SCHEMBL5791566 0.81 CNR2 (0.61) CNR2
SCHEMBL5790407 0.80 CNR2 (0.72) CNR2
SCHEMBL5789971 0.79 CNR2 (0.59) CNR2
SCHEMBL5790523 0.79 CNR2 (0.72) CNR2PTK2
SCHEMBL5790689 0.79 CNR2 (0.72) CNR2
SCHEMBL5792571 0.79 CNR2 (0.72) CNR2
SCHEMBL5083042 0.78 CNR2 (0.74) CNR2RAB9AJAK2NTRK1TYK2
SCHEMBL5790645 0.78 CNR2 (0.53) CNR2NPSR1

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-1534687-B1 2-PHENYLAMINO-4-TRIFLUOROMETHYL-5-(BENZYL- OR PYRIDIN-4-YLMETHYL)CARBAMOYLPYRIMIDINE DERIVATIVES AS SELECTIVE CB2 CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-09-27 EP claimed