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SCHEMBL11309707

SCHEMBL11309707

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.52
▸ OPRD1 P41143 4/20 0.52
▸ OPRK1 P41145 4/20 0.52
▸ TACR3 P29371 1/20 0.51
▸ CCKBR P32239 5/20 0.50
▸ CCKAR P32238 1/20 0.50
▸ IL23R Q5VWK5 1/20 0.50

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
SCHEMBL11309694 1.00 OPRM1 (0.52) OPRM1OPRD1OPRK1TACR3CCKBR
SCHEMBL29351536 0.98 OPRM1 (0.54) OPRM1OPRD1OPRK1TACR3CCKBR
SCHEMBL8019418 0.92 OPRD1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL29409626 0.85 BACE1 (0.59) —
SCHEMBL29407159 0.85 KEAP1 (0.52) CCKBR
SCHEMBL29829703 0.84 CCKBR (0.61) OPRM1OPRD1CCKBRCCKARIL23R
SCHEMBL29406603 0.84 CTSB (0.54) OPRM1OPRD1OPRK1TACR3CCKBR
SCHEMBL29708271 0.84 TFPI (0.56) CCKBRIL23R
SCHEMBL31257044 0.83 CCKBR (0.51) OPRM1OPRD1OPRK1CCKBR
SCHEMBL7588222 0.83 OPRD1 (0.53) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56164156-A — — None — — JP disclosed
JP-S56164156-A PREPARATION OF POLYPEPTIDE ITO ZEN 1981-12-17 — — JP disclosed
US-3912711-A Synthetically produced undecapeptide, Substance P LEEMAN SUSAN E 1975-10-14 — — US disclosed
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