SCHEMBL20859018

SCHEMBL20859018

CC(C)CC(N)C(=O)N1CCCC1C(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.50
▸ DPP8 Q6V1X1 3/20 0.45
▸ ELANE P08246 1/20 0.45
▸ OPRM1 P35372 3/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ ACE P12821 1/20 0.42
▸ OPRK1 P41145 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ F2 P00734 1/20 0.40

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
SCHEMBL29613674 1.00 DPP4 (0.50) DPP4DPP8ELANEOPRM1OPRD1
SCHEMBL16703858 1.00 DPP4 (0.50) DPP4DPP8ELANEOPRM1OPRD1
SCHEMBL19603004 1.00 DPP4 (0.50) DPP4DPP8ELANEOPRM1OPRD1
SCHEMBL16703281 1.00 DPP4 (0.50) DPP4DPP8ELANEOPRM1OPRD1
SCHEMBL16703282 1.00 DPP4 (0.50) DPP4DPP8ELANEOPRM1OPRD1
Hydrochloric Acid SCHEMBL31444858 0.99 DPP4 (0.49) DPP4DPP8ELANEOPRM1OPRD1
Hydrochloric Acid SCHEMBL29613658 0.99 DPP4 (0.49) DPP4DPP8ELANEOPRM1OPRD1
Hydrochloric Acid SCHEMBL18094987 0.99 DPP4 (0.49) DPP4DPP8ELANEOPRM1OPRD1
Hydrochloric Acid SCHEMBL16703178 0.99 DPP4 (0.49) DPP4DPP8ELANEOPRM1OPRD1
Hydrochloric Acid SCHEMBL16703176 0.99 DPP4 (0.49) DPP4DPP8ELANEOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066091-B1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2019-04-03 — — EP disclosed
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