SCHEMBL30139020

SCHEMBL30139020

C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 2/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ TLR2 O60603 1/20 0.39

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
SCHEMBL30445992 0.93 CASP3 (0.39) FDFT1OPRM1OPRD1F2FAP
SCHEMBL30139062 0.92 F2 (0.43) FDFT1OPRM1OPRD1F2FAP
SCHEMBL29467321 0.89 F2 (0.45) FDFT1OPRD1F2FAPMDM4
SCHEMBL31297111 0.88 TLR2 (0.46) FDFT1F2FAPTLR2
SCHEMBL2946630 0.86 FAP (0.40) FDFT1OPRM1OPRD1F2FAP
SCHEMBL30313541 0.84 MDM2 (0.44) FDFT1TLR2
SCHEMBL31113348 0.84 PSMB9 (0.46) FDFT1OPRD1F2FAPMDM4
SCHEMBL30688537 0.82 CTRB1 (0.44) FDFT1F2
SCHEMBL31297104 0.82 REN (0.46) OPRM1OPRD1FAPTLR2
SCHEMBL31297115 0.82 APLNR (0.45) FDFT1OPRM1OPRD1TLR2

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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