SCHEMBL30736194

SCHEMBL30736194

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.55
▸ OPRM1 P35372 6/20 0.55
▸ OPRK1 P41145 3/20 0.49
▸ CCKAR P32238 3/20 0.49
▸ CCKBR P32239 3/20 0.49
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ GNPAT O15228 1/20 0.47
▸ QRFPR Q96P65 1/20 0.46

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
SCHEMBL30736285 0.94 OPRD1 (0.54) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL30736126 0.86 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL30799632 0.84 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL31658965 0.83 NOD1 (0.49) OPRD1OPRM1MMEACE
SCHEMBL30736117 0.82 FNTA (0.64) —
SCHEMBL30264901 0.82 FNTA (0.52) OPRD1OPRM1OPRK1QRFPR
SCHEMBL9562904 0.81 OPRD1 (0.69) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL30736232 0.81 FNTA (0.65) —
SCHEMBL30945873 0.80 OPRM1 (0.53) OPRD1OPRM1OPRK1MME
SCHEMBL30799524 0.80 OPRD1 (0.62) OPRD1OPRM1OPRK1CCKARCCKBR

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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