SCHEMBL29696462

SCHEMBL29696462

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.60
▸ OPRD1 P41143 6/20 0.60
▸ OPRK1 P41145 5/20 0.60
▸ IL23R Q5VWK5 3/20 0.60
▸ KEAP1 Q14145 1/20 0.56
▸ KISS1R Q969F8 3/20 0.53
▸ TFPI P10646 1/20 0.53

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
SCHEMBL29831896 0.90 IL23R (0.55) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL29811053 0.90 IL23R (0.59) OPRM1OPRD1OPRK1IL23RKEAP1
Tyrlysseraspserphetyrglyleumet SCHEMBL30475005 0.90 OPRM1 (0.61) OPRM1OPRD1OPRK1IL23RKISS1R
SCHEMBL29678561 0.88 CCKAR (0.51) OPRM1OPRD1OPRK1TFPI
SCHEMBL30903271 0.88 IL23R (0.53) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL29856025 0.86 TFPI (0.56) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL29811062 0.86 IL23R (0.59) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL30262159 0.86 IL23R (0.56) OPRM1OPRD1OPRK1IL23RKEAP1
SCHEMBL31182935 0.85 TFPI (0.62) IL23RTFPI
SCHEMBL29511897 0.85 OPRM1 (0.67) OPRM1OPRD1OPRK1KISS1RTFPI

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
WO-2024173214-A1 SIALOKININ IMMUNOGEN AND METHODS FOR USING SAME UNM RAINFOREST INNOVATIONS (US) 2024-08-22 — — WO disclosed
WO-2024173214-A1 SIALOKININ IMMUNOGEN AND METHODS FOR USING SAME UNM RAINFOREST INNOVATIONS (US) 2024-08-22 — — WO disclosed
US-11396653-B2 System for the biocontrol of disease-transmitting mosquitoes and their eggs using horizontally transferable symbiotic bacteria to deliver pathogen specific interfering RNA polynucleotides PEBBLE LABS INC. (US) 2022-07-26 — — US disclosed
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