SCHEMBL30736199

SCHEMBL30736199

CSCC[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](CCS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.57
▸ OPRD1 P41143 5/20 0.57
▸ BDKRB2 P30411 1/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.51
▸ NMUR1 Q9HB89 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ F2 P00734 1/20 0.51
▸ FNTA P49354 4/20 0.51
▸ FNTB P49356 4/20 0.51
▸ PGGT1B P53609 4/20 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
SCHEMBL30736123 0.96 OPRM1 (0.58) OPRM1OPRD1BDKRB2NMUR2NMUR1
SCHEMBL31596868 0.87 OPRM1 (0.64) OPRM1OPRD1BDKRB2OPRK1
SCHEMBL31596986 0.87 OPRM1 (0.64) OPRM1OPRD1BDKRB2OPRK1
SCHEMBL30736308 0.87 OPRD1 (0.62) OPRM1OPRD1BDKRB2NMUR2NMUR1
SCHEMBL30736126 0.86 OPRD1 (0.61) OPRM1OPRD1BDKRB2NMUR2NMUR1
SCHEMBL30736232 0.85 FNTA (0.65) FNTAFNTBPGGT1B
SCHEMBL30401696 0.85 BDKRB2 (0.58) OPRM1OPRD1BDKRB2OPRK1F2
SCHEMBL31612385 0.84 OPRM1 (0.61) OPRM1OPRD1BDKRB2OPRK1
SCHEMBL30159031 0.84 NMUR2 (0.57) OPRM1OPRD1NMUR2NMUR1
SCHEMBL31612359 0.81 OPRM1 (0.56) OPRM1OPRD1BDKRB2

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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