SCHEMBL5550323

SCHEMBL5550323

O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCN3CCCC3)c2=O)cc1

nearest known ligand 0.98

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 14/20 0.98
▸ OPRK1 P41145 5/20 0.51
▸ OPRM1 P35372 3/20 0.48
▸ OPRD1 P41143 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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 0.99 PYGM (1.00) PYGMOPRK1OPRM1OPRD1TSHR
SCHEMBL14470642 0.94 PYGM (1.00) PYGMTSHRKDM4EUSP2LMNA
SCHEMBL14470664 0.90 PYGM (1.00) PYGMTP53LMNAHPGD
SCHEMBL5547072 0.89 PYGM (0.81) PYGMOPRK1OPRM1OPRD1LMNA
SCHEMBL5550231 0.87 PYGM (1.00) PYGMKDM4ETP53LMNASMN1; SMN2
SCHEMBL5547056 0.87 PYGM (1.00) PYGM
SCHEMBL14470666 0.86 PYGM (1.00) PYGMKDM4ETP53LMNAHPGD
SCHEMBL5547069 0.86 PYGM (1.00) PYGMTP53LMNAHPGD
SCHEMBL14470665 0.85 PYGM (1.00) PYGMTP53LMNAHPGD
SCHEMBL5545659 0.79 PYGM (0.72) PYGMOPRK1OPRM1OPRD1TSHR

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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