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SCHEMBL4769067

SCHEMBL4769067

Cc1cc(NC(=O)OCC2CCN(C(=O)OCC(C)C)CC2)nn1Cc1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 20/20 0.64
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL4091341 0.90 PTGER1 (0.60) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL13693920 0.89 PTGER1 (0.59) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL13693919 0.86 PTGER1 (0.60) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL4773801 0.86 PTGER1 (0.62) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL13693167 0.80 PTGER1 (0.81) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL4775011 0.78 PTGER1 (0.67) PTGER1
SCHEMBL13693297 0.78 PTGER1 (1.00) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL4096445 0.77 PTGER1 (0.72) PTGER1CYP2C9
SCHEMBL13693161 0.77 PTGER1 (0.81) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL13693214 0.76 PTGER1 (0.67) PTGER1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 — — EP disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 — — WO disclosed