SCHEMBL30736308

SCHEMBL30736308

CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.62
▸ OPRM1 P35372 5/20 0.62
▸ NMUR2 Q9GZQ4 3/20 0.57
▸ NMUR1 Q9HB89 3/20 0.57
▸ BDKRB2 P30411 1/20 0.56
▸ F2 P00734 1/20 0.54
▸ OPRK1 P41145 1/20 0.51

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
SCHEMBL30736126 0.96 OPRD1 (0.61) OPRD1OPRM1NMUR2NMUR1BDKRB2
SCHEMBL30736123 0.91 OPRM1 (0.58) OPRD1OPRM1NMUR2NMUR1BDKRB2
SCHEMBL30736199 0.87 OPRM1 (0.57) OPRD1OPRM1NMUR2NMUR1BDKRB2
SCHEMBL30736285 0.84 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL34461924 0.84 OPRD1 (0.67) OPRD1OPRM1NMUR2NMUR1
SCHEMBL30957420 0.84 OPRM1 (0.61) OPRD1OPRM1F2OPRK1
SCHEMBL11335942 0.82 OPRM1 (0.55) OPRD1OPRM1BDKRB2
SCHEMBL30736194 0.81 OPRD1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL29519710 0.81 OPRM1 (0.65) OPRD1OPRM1
SCHEMBL12146087 0.81 NMUR2 (0.55) OPRD1OPRM1NMUR2NMUR1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 — — WO claimed
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 — — WO disclosed
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