SCHEMBL5547072

SCHEMBL5547072

O=C(NCc1cccs1)c1ccc(Nc2nc3cc(F)ccc3n(CCN3CCCCC3)c2=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 13/20 0.81
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL14470653 0.90 PYGM (1.00) PYGMOPRM1OPRD1OPRK1HPGD
SCHEMBL5550323 0.89 PYGM (0.98) PYGMOPRM1OPRD1OPRK1HPGD
SCHEMBL5545757 0.87 PYGM (1.00) PYGMPPARGALDH1A1HPGDMAPT
SCHEMBL14470642 0.83 PYGM (1.00) PYGMALDH1A1LMNA
SCHEMBL5547110 0.82 PYGM (0.87) PYGMPPARGALDH1A1HPGDMAPT
SCHEMBL14470664 0.79 PYGM (1.00) PYGMHPGDMAPTLMNA
SCHEMBL5549625 0.77 PYGM (0.81) PYGMALDH1A1HPGDMAPTLMNA
SCHEMBL5550231 0.76 PYGM (1.00) PYGMALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL14470666 0.76 PYGM (1.00) PYGMALDH1A1HPGDMAPTLMNA
SCHEMBL5547056 0.76 PYGM (1.00) PYGM

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-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 — — EP claimed
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