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SCHEMBL9119627

SCHEMBL9119627

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1Oc1ccccc1C(=O)O.O=C(Nc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Oc1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 5/20 0.52
▸ CCR1 P32246 1/20 0.49
▸ CCR2 P41597 1/20 0.49
▸ TAS2R14 Q9NYV8 2/20 0.49
▸ IDO1 P14902 8/20 0.48
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ IDH2 P48735 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
SCHEMBL5595139 0.94 CCR1 (0.54) GRIK1CCR1CCR2TAS2R14IDO1
SCHEMBL9119633 0.93 RXFP1 (0.45) GRIK1TAS2R14IDO1MAPTTDP1
SCHEMBL9117124 0.91 GRIK1 (0.58) GRIK1CCR1CCR2TAS2R14MAPT
SCHEMBL9118124 0.88 GRIK1 (0.61) GRIK1CCR1CCR2TAS2R14MAPT
Diphenylmethanol SCHEMBL9117115 0.88 CCR1 (0.49) GRIK1CCR1CCR2TAS2R14IDO1
Diphenylmethanol SCHEMBL9185659 0.88 CCR1 (0.49) GRIK1CCR1CCR2TAS2R14IDO1
SCHEMBL9117108 0.85 GRIK1 (0.47) GRIK1CCR1CCR2TAS2R14IDO1
SCHEMBL9185640 0.82 IDO1 (0.47) GRIK1CCR1CCR2IDO1MAPT
SCHEMBL9118380 0.81 GRIK1 (0.47) GRIK1CCR1CCR2MAPTTDP1
SCHEMBL9118596 0.78 GRIK1 (0.49) GRIK1IDO1MAPTIDH2

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
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 — — WO disclosed