SCHEMBL21099730

SCHEMBL21099730

CC(C)(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.57
▸ SLC7A5 Q01650 1/20 0.57
▸ NLN Q9BYT8 1/20 0.50

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
SCHEMBL17697372 0.91 CYP3A4 (0.58) CYP3A4SLC7A5NLN
SCHEMBL12982249 0.91 CYP3A4 (0.58) CYP3A4SLC7A5NLN
SCHEMBL16192880 0.90 CYP3A4 (0.61) CYP3A4SLC7A5NLN
SCHEMBL12234246 0.88 CYP3A4 (0.61) CYP3A4SLC7A5NLN
SCHEMBL16363243 0.87 CYP3A4 (0.55) CYP3A4SLC7A5
SCHEMBL7602189 0.87 CYP3A4 (0.55) CYP3A4SLC7A5
SCHEMBL17922794 0.87 CYP3A4 (0.55) CYP3A4SLC7A5
SCHEMBL18735879 0.86 CYP3A4 (0.53) CYP3A4SLC7A5
SCHEMBL16377439 0.83 CYP3A4 (0.56) CYP3A4SLC7A5
SCHEMBL12982052 0.82 CYP3A4 (0.49) CYP3A4SLC7A5

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-2986313-B1 STABLE, PROTRACTED GLP-1/GLUCAGON RECEPTOR CO-AGONISTS FOR MEDICAL USE NOVO NORDISK AS (DK) 2019-06-12 — — EP disclosed
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