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Sugi Predict / Compounds / SCHEMBL5790218

SCHEMBL5790218

SCHEMBL5790218

CN(Cc1ccccc1)C(=O)Oc1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 0.60
▸ CYP2C9 P11712 7/20 0.51
▸ CYP2C19 P33261 7/20 0.51
▸ CYP3A4 P08684 6/20 0.51
▸ CYP1A2 P05177 5/20 0.51
▸ CYP2D6 P10635 4/20 0.51

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
SCHEMBL5789186 0.89 CNR2 (0.60) CNR2
SCHEMBL5787978 0.86 CNR2 (0.46) CNR2
SCHEMBL5083384 0.85 CNR2 (0.69) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL5791509 0.84 CNR2 (0.51) CNR2CYP2C9CYP1A2
SCHEMBL5792571 0.84 CNR2 (0.72) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3383474 0.83 CNR2 (0.61) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3380698 0.83 CNR2 (0.61) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3380188 0.83 CNR2 (0.62) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3382376 0.81 CNR2 (0.63) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL14026155 0.79 CNR2 (0.58) CNR2CYP2C9CYP2C19CYP3A4CYP1A2

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