SCHEMBL8189917

SCHEMBL8189917

O=C1C=C/C(=C/Cc2ccc(-c3ccccc3)cc2)N1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.67
▸ FAAH O00519 4/20 0.67
▸ GSK3A P49840 5/20 0.56
▸ GSK3B P49841 5/20 0.56
▸ ELANE P08246 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ CTSG P08311 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ RGS4 P49798 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ DAO P14920 1/20 0.38

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
SCHEMBL598742 0.81 MGLL (0.64) MGLLFAAHGSK3AGSK3BELANE
SCHEMBL1908629 0.81 MGLL (0.64) MGLLFAAHGSK3AGSK3BELANE
SCHEMBL22320218 0.81 MGLL (1.00) MGLLFAAHGSK3AGSK3BELANE
SCHEMBL24478757 0.78 MGLL (0.61) MGLLFAAHGSK3AGSK3BELANE
SCHEMBL24478758 0.74 MGLL (0.56) MGLLFAAHGSK3AGSK3BELANE
SCHEMBL207740 0.74 MGLL (1.00) MGLLFAAHGSK3AGSK3BELANE
SCHEMBL25435490 0.74 MGLL (1.00) MGLLFAAHGSK3AGSK3BELANE
SCHEMBL21215698 0.74 MGLL (0.86) MGLLFAAHGSK3AGSK3BELANE
SCHEMBL24478879 0.69 MGLL (0.49) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL28874121 0.68 MGLL (0.78) MGLLFAAHGSK3AGSK3BELANE

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-2008083967-A2 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2008-07-17 — — WO disclosed
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