SCHEMBL30638358

SCHEMBL30638358

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.58
▸ APLNR P35414 1/20 0.53
▸ OPRD1 P41143 6/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ NTSR1 P30989 7/20 0.52
▸ NTSR2 O95665 5/20 0.52
▸ SORT1 Q99523 4/20 0.51
▸ AGTR1 P30556 1/20 0.50
▸ F2 P00734 1/20 0.48
▸ NTMT1 Q9BV86 1/20 0.48

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
SCHEMBL30358622 0.82 OPRD1 (0.61) APLNROPRD1OPRM1OPRK1NTSR1
SCHEMBL29362706 0.81 GRB2 (0.67) GRB2APLNRNTSR1NTSR2SORT1
SCHEMBL29392907 0.80 NTSR1 (0.57) OPRD1OPRM1OPRK1NTSR1NTSR2
SCHEMBL29551878 0.80 OPRD1 (0.56) APLNROPRD1OPRM1OPRK1NTSR1
SCHEMBL30411733 0.80 GRB2 (0.54) GRB2OPRD1OPRM1OPRK1NTSR1
SCHEMBL30844298 0.79 GRB2 (0.57) GRB2APLNROPRM1OPRK1NTSR1
SCHEMBL31257010 0.79 XIAP (0.57) GRB2NTSR1NTSR2SORT1
SCHEMBL29445609 0.78 F2 (0.57) GRB2APLNRNTSR1NTSR2F2
SCHEMBL30997450 0.78 GRB2 (0.55) GRB2OPRM1NTSR1NTSR2SORT1
SCHEMBL30772337 0.77 GRB2 (0.54) GRB2APLNROPRM1OPRK1NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4646228-A1 ETHER OF PHOSPHATIDYLCHOLINE AND PHOSPHATIDYLETHANOLAMINE, THEIR LYSO-FORMS AND MIXTURE THEREOF FOR USE IN THE TREATMENT OF A DISEASE OR DISORDER CAUSED BY A DEFICIENCY IN PLASMALOGENS Baker Heart and Diabetes Institute (AU) 2025-11-12 — — EP disclosed
EP-4582540-A1 METHOD FOR PRODUCING NUCLEIC ACID MOLECULE Genedesign, Inc. (JP) 2025-07-09 — — EP disclosed
CN-120202295-A Method for producing nucleic acid molecule 基因设计有限公司 2025-06-24 — — CN disclosed
US-20240379235-A1 MULTI-OMIC PREDICTION MODEL FOR METASTATIC PROSTATE CANCER UNIVERSITY OF UTAH RESEARCH FOUNDATION 2024-11-14 — — US disclosed
WO-2024192471-A1 METHODS OF ASSESSING METABOLIC HEALTH Baker Heart and Diabetes Institute (AU) 2024-09-26 — — WO disclosed
WO-2024148052-A1 ETHER OF PHOSPHATIDYLCHOLINE AND PHOSPHATIDYLETHANOLAMINE, THEIR LYSO-FORMS AND MIXTURE THEREOF FOR USE IN THE TREATMENT OF TREATMENT OF A DISEASE OR DISORDER CAUSED BY A DEFICIENCY IN PLASMALOGENS Baker Heart and Diabetes Institute (AU) 2024-07-11 — — WO disclosed
WO-2024048684-A1 METHOD FOR PRODUCING NUCLEIC ACID MOLECULE 株式会社ジーンデザイン 2024-03-07 — — WO disclosed
US-20230348944-A1 LACTOSE CONVERTING ALPHA-1,2-FUCOSYLTRANSFERASE ENZYMES INBIOSE N.V. (BE) 2023-11-02 — — US disclosed
Send feedback