SCHEMBL29531483

SCHEMBL29531483

N=C(N)NCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CN)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.51
▸ NMUR2 Q9GZQ4 4/20 0.50
▸ NMUR1 Q9HB89 4/20 0.50
▸ OPRM1 P35372 9/20 0.50
▸ OPRD1 P41143 3/20 0.50
▸ ACE P12821 2/20 0.49
▸ OPRK1 P41145 6/20 0.49
▸ F2 P00734 2/20 0.47
▸ PLG P00747 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
SCHEMBL30457966 0.88 MAPK8 (0.53) OPRM1OPRD1OPRK1
SCHEMBL30974592 0.87 F2 (0.58) EPHA2OPRM1OPRD1OPRK1F2
SCHEMBL30405782 0.86 NMUR2 (0.57) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30693083 0.85 F2 (0.58) EPHA2OPRM1OPRD1OPRK1F2
SCHEMBL30782709 0.85 OPRM1 (0.62) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31099137 0.85 OPRM1 (0.57) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31410880 0.84 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL11600367 0.84 F2 (0.51) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL8529458 0.84 F2 (0.51) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30974475 0.84 EPHA2 (0.57) EPHA2NMUR2NMUR1OPRM1OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
Send feedback