SCHEMBL10864928

SCHEMBL10864928

CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.43
▸ DPP4 P27487 3/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ TRHR P34981 1/20 0.40
▸ MMP1 P03956 3/20 0.39
▸ MMP13 P45452 3/20 0.39
▸ ADAM17 P78536 3/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38

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
Bromide SCHEMBL10345828 0.99 OPRM1 (0.42) OPRM1DPP4DPP8DPP9TRHR
SCHEMBL29649761 0.87 OPRM1 (0.44) OPRM1OPRD1OPRK1
SCHEMBL29566393 0.87 OPRM1 (0.44) OPRM1OPRD1OPRK1
SCHEMBL1000429 0.87 DPP4 (0.44) DPP4DPP8DPP9TRHR
SCHEMBL4595206 0.87 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL1000430 0.87 DPP4 (0.44) DPP4DPP8DPP9TRHR
SCHEMBL4595209 0.87 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL5734357 0.87 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL2182026 0.87 DPP4 (0.44) DPP4DPP8DPP9TRHR
SCHEMBL7270667 0.87 KDM4E (0.46) OPRM1DPP4DPP8DPP9

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-0171159-A1 Substituted azetidinone compounds, their preparation, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-02-12 — — EP disclosed
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