SCHEMBL29678561

SCHEMBL29678561

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.51
▸ CCKBR P32239 1/20 0.51
▸ PTH1R Q03431 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ TFPI P10646 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
SCHEMBL29406603 0.94 CTSB (0.54) CCKARCCKBROPRM1OPRD1OPRK1
SCHEMBL29678374 0.92 OPRM1 (0.52) OPRM1OPRD1OPRK1TFPI
SCHEMBL29569383 0.92 OPRM1 (0.57) CCKARCCKBROPRM1OPRD1OPRK1
SCHEMBL29678344 0.91 NPY4R (0.56) —
SCHEMBL29696462 0.88 OPRM1 (0.60) OPRM1OPRD1OPRK1TFPI
SCHEMBL31332102 0.87 OPRD1 (0.52) OPRM1OPRD1OPRK1
Neurokinin B SCHEMBL29390479 0.86 GRPR (0.59) —
Neurokinin B SCHEMBL29440672 0.86 GRPR (0.59) —
SCHEMBL29831896 0.85 IL23R (0.55) CCKARCCKBROPRM1OPRD1OPRK1
SCHEMBL31722296 0.85 BACE1 (0.51) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352391-B2 Compositions for inducing urinary voiding and defecation DIGNIFY THERAPEUTICS, LLC (US) 2022-06-07 — — US disclosed
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