SCHEMBL4394518

SCHEMBL4394518

N#Cc1cccc(OCC(=O)Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ GAA P10253 1/20 0.49
▸ GPR34 Q9UPC5 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43

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
SCHEMBL3190220 0.85 ALOX15 (0.61) SMN1; SMN2GAAGPR34PTGDR2FFAR1
SCHEMBL16661979 0.84 SMN1; SMN2 (0.54) SMN1; SMN2GAAGPR34GSK3BSMPD1
SCHEMBL10967825 0.84 SMN1; SMN2 (0.54) SMN1; SMN2GAAGPR34GSK3BSMPD1
SCHEMBL10967799 0.84 SMN1; SMN2 (0.57) SMN1; SMN2GAAGPR34GSK3BSMPD1
SCHEMBL4362709 0.82 LMNA (0.56) GAA
SCHEMBL4841249 0.81 SMN1; SMN2 (0.55) SMN1; SMN2GAAGPR34
SCHEMBL15647515 0.81 MAPT (0.53) GAA
SCHEMBL6320208 0.80 KCNH2 (0.48) SMN1; SMN2PTGDR2
SCHEMBL10289328 0.79 PPARA (0.55) SMN1; SMN2GAA
SCHEMBL17460125 0.78 MGLL (0.51) SMN1; SMN2GSK3B

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-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 — — EP disclosed
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