SCHEMBL17593431

SCHEMBL17593431

O=C(OC(c1ccccc1)C(F)(F)F)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.45
▸ ABHD6 Q9BV23 6/20 0.44
▸ MGLL Q99685 7/20 0.43
▸ PLA2G7 Q13093 2/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL4678831 0.81 SIGMAR1 (0.51) SIGMAR1MGLLOPRD1POLBMEN1
SCHEMBL4679033 0.78 GRIN2B (0.52) SIGMAR1MGLLOPRD1POLBMEN1
SCHEMBL31024103 0.74 GRIN2B (0.48) SIGMAR1OPRD1POLB
SCHEMBL15101002 0.74 ABHD6 (0.57) ABHD6MGLLPLA2G7
SCHEMBL27801809 0.73 POLB (0.41) POLBKMT2AGAA
Hydrochloric Acid SCHEMBL18064781 0.72 ABHD6 (0.56) ABHD6MGLLPLA2G7
SCHEMBL5932732 0.72 POLB (0.40) POLBKMT2AGAA
Trifluoroacetic Acid SCHEMBL19260950 0.72 ABHD6 (0.52) ABHD6MGLLPLA2G7
Trifluoroacetic Acid SCHEMBL953317 0.71 GAA (0.52) SIGMAR1MGLLPOLBMEN1KMT2A
SCHEMBL16935385 0.71 ABHD6 (0.42) ABHD6MGLL

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-3191449-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-07-19 — — EP disclosed
WO-2016037578-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-17 — — WO disclosed
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