SCHEMBL3552569

SCHEMBL3552569

O=C1CN(OC(=O)c2cccc(N3CC(=O)NC3=O)c2)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 2/20 0.38
ALOX5 P09917 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.36
CPT2 P23786 3/20 0.36
CPT1A P50416 3/20 0.36
CPT1B Q92523 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL3557319 0.82 MAPK1 (0.42) ALDH1A1HPGDMAPK1SMN1; SMN2GAA
SCHEMBL3553878 0.80 ALDH1A1 (0.57) DDB1CRBNALDH1A1CYP1A2CYP2D6
SCHEMBL28944624 0.80 HTT (0.44) HPGDMAPK1LMNASMN1; SMN2GAA
SCHEMBL4399681 0.75 F10 (0.56) DDB1CRBN
SCHEMBL4392508 0.73 DDB1 (0.40) DDB1CRBNOPRM1OPRL1ALDH1A1
SCHEMBL8076294 0.72 DDB1 (0.47) DDB1CRBNOPRM1ALDH1A1HPGD
Hydantoin SCHEMBL3552566 0.72 ALDH1A1 (0.48) DDB1CRBNALDH1A1CYP1A2CYP2D6
SCHEMBL7257909 0.70 DDB1 (0.71) DDB1CRBNALDH1A1CYP3A4GAA
SCHEMBL10814936 0.70 MAPT (0.60) DDB1CRBNALDH1A1CYP1A2ALOX5
SCHEMBL1788429 0.69 MEN1 (0.58) DDB1CRBNALDH1A1ALOX5GAA

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
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed