SCHEMBL30139016

SCHEMBL30139016

C[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ OPRD1 P41143 1/20 0.43
▸ PREP P48147 2/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL30139041 0.97 ACE (0.45) ACELMNASMN1; SMN2OPRD1PREP
SCHEMBL30139006 0.97 ACE (0.45) ACELMNASMN1; SMN2OPRD1PREP
SCHEMBL29759519 0.91 ACE (0.52) ACELMNASMN1; SMN2PREPACE2
SCHEMBL21467260 0.91 ACE (0.52) ACELMNASMN1; SMN2PREPACE2
SCHEMBL31217850 0.91 ACE (0.52) ACELMNASMN1; SMN2PREPACE2
SCHEMBL17015151 0.91 ACE (0.52) ACELMNASMN1; SMN2PREPACE2
SCHEMBL8611807 0.87 ACE (0.49) ACELMNASMN1; SMN2PREPACE2
SCHEMBL8611810 0.87 ACE (0.49) ACELMNASMN1; SMN2PREPACE2
SCHEMBL29696690 0.87 ACE (0.49) ACELMNASMN1; SMN2PREPACE2
SCHEMBL30139010 0.87 ACE (0.49) ACELMNASMN1; SMN2PREPACE2

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
CN-115181173-A Preparation method of Tirzepatide 深圳市健元医药科技有限公司 2022-10-14 — — CN disclosed
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