SCHEMBL29858376

SCHEMBL29858376

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ BACE1 P56817 8/20 0.46
▸ KEAP1 Q14145 2/20 0.45
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ CTSD P07339 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ GLP1R P43220 2/20 0.42

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
SCHEMBL30056577 0.89 NAALAD2 (0.50) NAALAD2BACE1KEAP1BACE2OPRM1
SCHEMBL31347347 0.86 GLP1R (0.51) OPRM1OPRD1GLP1R
SCHEMBL30054207 0.85 BACE1 (0.51) NAALAD2BACE1BACE2OPRM1OPRD1
SCHEMBL29858785 0.85 OPRD1 (0.53) OPRM1OPRD1
SCHEMBL30721545 0.84 GLP1R (0.58) KEAP1OPRM1OPRD1GLP1R
SCHEMBL29858485 0.84 KEAP1 (0.38) NAALAD2KEAP1
SCHEMBL10082823 0.82 KEAP1 (0.44) BACE1KEAP1OPRM1OPRD1SYK
SCHEMBL31003041 0.81 OPRD1 (0.63) BACE1BACE2OPRM1OPRD1
SCHEMBL29602768 0.81 OPRM1 (0.62) BACE1KEAP1BACE2OPRM1OPRD1
SCHEMBL29984972 0.80 OPRM1 (0.43) BACE1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160429-A Preparation method of Tirzepatide 深圳市健元医药科技有限公司 2022-10-11 — — CN claimed
CN-115160429-A Preparation method of Tirzepatide 深圳市健元医药科技有限公司 2022-10-11 — — CN disclosed
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