SCHEMBL30449517

SCHEMBL30449517

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ BACE1 P56817 3/20 0.39
▸ KISS1R Q969F8 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36

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
SCHEMBL31514358 0.95 MME (0.44) MMEBACE1PTPN1
SCHEMBL30254481 0.94 MME (0.42) MMEOPRM1OPRD1BACE1NPY1R
SCHEMBL30781148 0.94 MME (0.37) MMEOPRM1OPRD1OPRK1
SCHEMBL30973978 0.93 OPRM1 (0.42) MMEOPRM1OPRD1OPRK1LTA4H
SCHEMBL30426633 0.92 OPRD1 (0.35) MMEOPRM1OPRD1OPRK1BACE1
SCHEMBL29531532 0.92 MME (0.41) MMELTA4H
SCHEMBL30728878 0.91 MME (0.43) MMENPY1RNPY2RNPY4RLTA4H
SCHEMBL29557496 0.90 BACE1 (0.38) MMEOPRM1OPRD1OPRK1BACE1
SCHEMBL29442611 0.89 MME (0.41) MMEOPRM1OPRD1OPRK1NPY1R
SCHEMBL1666827 0.88 MME (0.44) MMELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118871126-A Tumor antigen and compound containing tumor antigen TRAS, TPX2 or AURKA and application thereof 勃林格殷格翰国际有限公司 2024-10-29 — — CN disclosed
CN-109963585-B Fusion for treating cancer comprising a cell penetrating peptide, a polyepitope and a TLR peptide agonist 阿尔勒治疗公司 2024-10-15 — — CN disclosed
CN-116723853-A Combination of STING agonist and complex comprising cell penetrating peptide, cargo and TLR peptide agonist 勃林格殷格翰国际有限公司 2023-09-08 — — CN disclosed
CN-116348137-A Heterologous prime boost vaccine 勃林格殷格翰国际有限公司 2023-06-27 — — CN disclosed
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