SCHEMBL30814203

SCHEMBL30814203

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.48
▸ DPP4 P27487 5/20 0.47
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ F2 P00734 3/20 0.41
▸ XIAP P98170 1/20 0.41
▸ MLX Q9UH92 1/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ DPP3 Q9NY33 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ PRSS1 P07477 1/20 0.39

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
SCHEMBL16703327 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL20859027 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL20853469 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL30814176 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL16703831 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
SCHEMBL16703830 1.00 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
Hydrochloric Acid SCHEMBL20731105 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
Hydrochloric Acid SCHEMBL16702881 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
Hydrochloric Acid SCHEMBL18094983 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2
Hydrochloric Acid SCHEMBL30814220 0.99 ELANE (0.48) ELANEDPP4OPRM1OPRD1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12516023-B2 NMDA antagonist prodrugs ASTRAZENECA AB (SE) 2026-01-06 — — US claimed
CN-111187202-B NMDA antagonist prodrugs 阿斯利康(瑞典)有限公司 2025-01-21 — — CN claimed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 — — EP disclosed
CN-111187202-B NMDA antagonist prodrugs 阿斯利康(瑞典)有限公司 2025-01-21 — — CN disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
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