SCHEMBL30814181

SCHEMBL30814181

N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.51
▸ OPRM1 P35372 3/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ ELANE P08246 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ DPP8 Q6V1X1 1/20 0.41
▸ OPRK1 P41145 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 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
SCHEMBL16704277 1.00 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
SCHEMBL20859176 1.00 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
SCHEMBL16704276 1.00 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
SCHEMBL20853459 1.00 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL20853486 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL16704079 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL29613732 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL16704082 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
Hydrochloric Acid SCHEMBL18094988 0.99 DPP4 (0.51) DPP4OPRM1OPRD1ELANEF2
SCHEMBL18100583 0.90 ELANE (0.45) DPP4ELANEITGB3ITGA2B

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
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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