SCHEMBL30139062

SCHEMBL30139062

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.43
▸ FAP Q12884 1/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ MDM4 O15151 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ FDFT1 P37268 1/20 0.41
▸ PREP P48147 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ PRCP P42785 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
SCHEMBL29467321 0.97 F2 (0.45) F2FAPOPRD1MDM4TP53
SCHEMBL30139020 0.92 FDFT1 (0.42) F2FAPOPRD1MDM4TP53
SCHEMBL31113348 0.88 PSMB9 (0.46) F2FAPOPRD1MDM4TP53
SCHEMBL2946630 0.88 FAP (0.40) F2FAPOPRD1FDFT1CASP3
SCHEMBL31297113 0.86 F2 (0.47) F2FAPFDFT1OPRM1TLR2
SCHEMBL30445992 0.86 CASP3 (0.39) F2FAPOPRD1FDFT1CASP3
SCHEMBL29749447 0.86 CTRB1 (0.48) F2MDM4TP53FDFT1KMT2A
SCHEMBL30034009 0.86 OPRD1 (0.47) F2FAPOPRD1PREPKMT2A
SCHEMBL13743328 0.84 FAP (0.49) FAPOPRD1OPRM1
SCHEMBL21462327 0.83 OPRD1 (0.49) F2FAPOPRD1PREPKMT2A

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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