SCHEMBL30302482

SCHEMBL30302482

N=C(N)NCCC[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.62
▸ NMUR1 Q9HB89 5/20 0.62
▸ OPRM1 P35372 4/20 0.59
▸ OPRD1 P41143 4/20 0.59
▸ EPHA2 P29317 2/20 0.57
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 0.57
▸ NPY2R P49146 4/20 0.55
▸ NPY4R P50391 4/20 0.55
▸ NPY5R Q15761 4/20 0.55
▸ NPY1R P25929 3/20 0.55
▸ TFPI P10646 2/20 0.55
▸ KDM1A O60341 1/20 0.54

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
SCHEMBL29865371 0.92 OPRM1 (0.58) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29864827 0.92 OPRM1 (0.58) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29864890 0.92 OPRM1 (0.58) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29864813 0.92 OPRM1 (0.58) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29865208 0.92 OPRM1 (0.58) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29865201 0.92 OPRM1 (0.56) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29865057 0.92 OPRM1 (0.56) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL30074500 0.89 OPRM1 (0.61) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL30440169 0.89 EPHA2 (0.60) NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL30405782 0.89 NMUR2 (0.57) NMUR2NMUR1OPRM1OPRD1EPHA2

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-20230086188-A1 PROTEINS WITH PREDICTABLE LIQUID-LIQUID PHASE SEPARATION UNIV DUKE (US) 2023-03-23 — — US disclosed
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