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SCHEMBL29932201

SCHEMBL29932201

N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.53
▸ OPRD1 P41143 6/20 0.53
▸ NPFFR1 Q9GZQ6 2/20 0.53
▸ NPFFR2 Q9Y5X5 2/20 0.53
▸ OPRK1 P41145 7/20 0.53
▸ IL23R Q5VWK5 1/20 0.51
▸ NPY4R P50391 3/20 0.51
▸ NPY1R P25929 2/20 0.51
▸ NPY2R P49146 2/20 0.51
▸ NPY5R Q15761 2/20 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
SCHEMBL29932155 1.00 OPRM1 (0.53) OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL29932218 1.00 OPRM1 (0.53) OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL29749864 1.00 OPRM1 (0.53) OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL29932146 0.97 NPY4R (0.54) OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL30437818 0.96 KDM1A (0.53) OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL30437820 0.94 KDM1A (0.54) OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL31692757 0.93 NTSR2 (0.53) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL30078070 0.92 OPRM1 (0.55) OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL29932161 0.92 OPRM1 (0.55) OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL30078129 0.92 OPRM1 (0.55) OPRM1OPRD1NPFFR1NPFFR2OPRK1

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
US-11648293-B2 Compositions and methods for treating cancer BIOKINE THERAPEUTICS LTD. (IL) 2023-05-16 — — US disclosed
US-11642393-B2 Compositions and methods for treating cancer BIOKINE THERAPEUTICS LTD. (IL) 2023-05-09 — — US disclosed
US-20220288155-A1 CXCR4 INHIBITOR FOR THE TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND VIRAL INFECTIONS BIOLINERX LTD. (IL) 2022-09-15 — — US disclosed
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