SCHEMBL29613669

SCHEMBL29613669

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.55
▸ DPP3 Q9NY33 5/20 0.48
▸ SNCA P37840 1/20 0.44
▸ KRAS P01116 1/20 0.43
▸ SOS1 Q07889 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MPO P05164 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ TACR1 P25103 2/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ SORT1 Q99523 1/20 0.42

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
SCHEMBL16704179 1.00 DPP4 (0.55) DPP4DPP3SNCAKRASSOS1
SCHEMBL20853453 1.00 DPP4 (0.55) DPP4DPP3SNCAKRASSOS1
SCHEMBL16704181 1.00 DPP4 (0.55) DPP4DPP3SNCAKRASSOS1
Hydrochloric Acid SCHEMBL16704302 0.99 DPP4 (0.54) DPP4DPP3SNCAKRASSOS1
Hydrochloric Acid SCHEMBL18094977 0.99 DPP4 (0.54) DPP4DPP3SNCAKRASSOS1
Hydrochloric Acid SCHEMBL16704300 0.99 DPP4 (0.54) DPP4DPP3SNCAKRASSOS1
Hydrochloric Acid SCHEMBL28888416 0.99 DPP4 (0.54) DPP4DPP3SNCAKRASSOS1
SCHEMBL16703980 0.90 DPP3 (0.49) DPP4DPP3SNCABCHETACR1
SCHEMBL16703025 0.85 DPP4 (0.54) DPP4
SCHEMBL20853463 0.85 DPP4 (0.54) DPP4

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
EP-4001272-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2024-11-13 — — EP claimed
EP-4001272-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2022-05-25 — — EP claimed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 — — EP 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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