SCHEMBL29498256

SCHEMBL29498256

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC[S+](C)[O-])C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.67
▸ NMUR2 Q9GZQ4 3/20 0.64
▸ NMUR1 Q9HB89 2/20 0.64
▸ F2 P00734 1/20 0.61
▸ OPRM1 P35372 1/20 0.60
▸ OPRK1 P41145 1/20 0.60

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
Substance P SCHEMBL19057679 0.93 OPRD1 (0.67) OPRD1NMUR2NMUR1F2OPRM1
Substance P SCHEMBL18769078 0.93 OPRD1 (0.67) OPRD1NMUR2NMUR1F2OPRM1
Substance P SCHEMBL29831869 0.93 OPRD1 (0.67) OPRD1NMUR2NMUR1F2OPRM1
Substance P SCHEMBL1116347 0.93 OPRD1 (0.67) OPRD1NMUR2NMUR1F2OPRM1
Substance P SCHEMBL17887651 0.93 OPRD1 (0.67) OPRD1NMUR2NMUR1F2OPRM1
SCHEMBL31332027 0.90 OPRD1 (0.71) OPRD1NMUR2NMUR1OPRM1OPRK1
SCHEMBL30342262 0.90 OPRD1 (0.71) OPRD1NMUR2NMUR1OPRM1OPRK1
SCHEMBL30013957 0.90 OPRD1 (0.63) OPRD1NMUR2NMUR1F2
SCHEMBL29566266 0.86 OPRD1 (0.61) OPRD1NMUR2NMUR1F2OPRM1
SCHEMBL29369748 0.86 OPRD1 (0.59) OPRD1NMUR2NMUR1F2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119932052-A Application of transcription regulating factor Cgl0020 in improving yield of ergothioneine in corynebacterium glutamicum and method for preparing ergothioneine 天津科技大学 2025-05-06 — — CN claimed
CN-119932053-A Application of transcription regulating factor Cgl2415 in improving yield of ergothioneine in corynebacterium glutamicum and method for preparing ergothioneine 天津科技大学 2025-05-06 — — CN claimed
EP-4511463-A2 PERFUME CONCRETE AND ABSOLUTE WHICH ARE OBTAINED BY ORGANIC (POLY)OL SOLVENT EXTRACTION FROM SOLID NATURAL SUBSTANCES L'OREAL (FR) 2025-02-26 — — EP claimed
CN-118255716-A Novel phenyl quinolone compound with antibacterial and anticancer functions and preparation thereof 深圳阿尔法分子科技有限责任公司 2024-06-28 — — CN claimed
WO-2023203098-A2 PERFUME CONCRETE AND ABSOLUTE WHICH ARE OBTAINED BY ORGANIC (POLY)OL SOLVENT EXTRACTION FROM SOLID NATURAL SUBSTANCES L'OREAL (FR) 2023-10-26 — — WO claimed
CN-114916561-B Biopesticide for preventing and treating crop pathogenic bacteria 山东大学 2022-11-18 — — CN claimed
CN-114916561-A Biopesticide for preventing and treating crop pathogenic bacteria 山东大学 2022-08-19 — — CN claimed
CN-119932053-A Application of transcription regulating factor Cgl2415 in improving yield of ergothioneine in corynebacterium glutamicum and method for preparing ergothioneine 天津科技大学 2025-05-06 — — CN disclosed
CN-119932052-A Application of transcription regulating factor Cgl0020 in improving yield of ergothioneine in corynebacterium glutamicum and method for preparing ergothioneine 天津科技大学 2025-05-06 — — CN disclosed
CN-119841847-A Cyclic 2-amino-3-cyanothiophenes and derivatives thereof for the treatment of cancer 勃林格殷格翰国际有限公司 2025-04-18 — — CN disclosed
CN-119569740-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 — — CN disclosed
CN-119569741-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 — — CN disclosed
CN-119569739-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 — — CN disclosed
CN-114916561-A Biopesticide for preventing and treating crop pathogenic bacteria 山东大学 2022-08-19 — — CN disclosed
CN-110770242-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际有限公司 2022-08-19 — — CN disclosed
CN-109153645-B Process for preparing 6-alkynyl-pyridine derivatives 勃林格殷格翰国际有限公司 2022-06-21 — — CN disclosed
CN-114621231-A Chimeric compound with targeted degradation/inhibition activity and preparation method and application thereof 杭州中美华东制药有限公司 2022-06-14 — — CN disclosed
CN-114375202-A Anti-cancer combination therapy 勃林格殷格翰国际有限公司 2022-04-19 — — CN disclosed
CN-114302885-A Calixarene compound and use thereof 维也纳大学 2022-04-08 — — CN disclosed
CN-114007698-A Novel macrocyclic compounds and derivatives as EGFR inhibitors 勃林格殷格翰国际有限公司 2022-02-01 — — CN disclosed
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