SCHEMBL30736285

SCHEMBL30736285

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.54
▸ OPRM1 P35372 3/20 0.54
▸ FNTA P49354 4/20 0.51
▸ FNTB P49356 4/20 0.51
▸ PGGT1B P53609 4/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ CCKAR P32238 3/20 0.50
▸ CCKBR P32239 3/20 0.50
▸ QRFPR Q96P65 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MME P08473 1/20 0.48
▸ ACE P12821 1/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ GNPAT O15228 1/20 0.48

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
SCHEMBL30736194 0.94 OPRD1 (0.55) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL30736117 0.88 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL30264901 0.87 FNTA (0.52) OPRD1OPRM1FNTAFNTBPGGT1B
SCHEMBL30264851 0.85 FNTA (0.50) OPRD1OPRM1FNTAFNTBPGGT1B
SCHEMBL30410458 0.85 MME (0.58) OPRD1OPRM1FNTAFNTBPGGT1B
SCHEMBL29892419 0.84 MMP2 (0.60) OPRD1OPRM1FNTAFNTBPGGT1B
SCHEMBL29892587 0.84 OPRD1 (0.68) OPRD1OPRM1OPRK1MME
SCHEMBL30799632 0.83 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL9562904 0.83 OPRD1 (0.69) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL31644070 0.83 OPRD1 (0.62) OPRD1OPRM1OPRK1MMEACE

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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