SCHEMBL16703339

SCHEMBL16703339

N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccn1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.54
▸ OPRM1 P35372 3/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ DPP8 Q6V1X1 3/20 0.51
▸ OPRK1 P41145 1/20 0.49
▸ DPP9 Q86TI2 2/20 0.49
▸ DPP7 Q9UHL4 2/20 0.49
▸ FAP Q12884 1/20 0.49
▸ F2 P00734 1/20 0.47

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
SCHEMBL16703025 1.00 DPP4 (0.54) DPP4OPRM1OPRD1DPP8OPRK1
SCHEMBL30814251 1.00 DPP4 (0.54) DPP4OPRM1OPRD1DPP8OPRK1
SCHEMBL16703340 1.00 DPP4 (0.54) DPP4OPRM1OPRD1DPP8OPRK1
SCHEMBL20853463 1.00 DPP4 (0.54) DPP4OPRM1OPRD1DPP8OPRK1
Hydrochloric Acid SCHEMBL16703248 0.99 DPP4 (0.53) DPP4OPRM1OPRD1DPP8OPRK1
Hydrochloric Acid SCHEMBL18094974 0.99 DPP4 (0.53) DPP4OPRM1OPRD1DPP8OPRK1
SCHEMBL31230863 0.95 OPRM1 (0.58) DPP4OPRM1OPRD1F2
SCHEMBL20853476 0.95 OPRM1 (0.58) DPP4OPRM1OPRD1F2
SCHEMBL18094994 0.95 OPRM1 (0.58) DPP4OPRM1OPRD1F2
SCHEMBL16702684 0.95 OPRM1 (0.58) DPP4OPRM1OPRD1F2

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-3066091-A1 NMDA ANTAGONIST PRODRUGS Astrazeneca AB (SE) 2016-09-14 — — EP claimed
WO-2015067923-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2015-05-14 — — WO claimed
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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