SCHEMBL30138992

SCHEMBL30138992

NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.40
▸ OPRM1 P35372 5/20 0.39
▸ OPRD1 P41143 4/20 0.39
▸ PSMB9 P28065 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ F2 P00734 2/20 0.36
▸ NTMT1 Q9BV86 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ ACE P12821 1/20 0.36

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
SCHEMBL31031470 0.98 CAPN1 (0.38) CAPN1OPRM1OPRD1ITGB1ITGA4
SCHEMBL29763113 0.93 CAPN1 (0.41) CAPN1OPRM1OPRD1PSMB9DPP4
SCHEMBL30730414 0.89 CALCRL (0.38) OPRM1ITGB1ITGA4F2NTMT1
SCHEMBL30139053 0.89 CAPN1 (0.42) CAPN1OPRM1OPRD1ITGB1ITGA4
SCHEMBL29816594 0.88 PTGS1 (0.41) ITGB1ITGA4F2NTMT1DPP4
SCHEMBL31751151 0.87 OPRM1 (0.44) CAPN1OPRM1OPRD1PSMB9
SCHEMBL30493192 0.87 ITGB1 (0.36) ITGB1ITGA4F2NTMT1DPP4
SCHEMBL29680076 0.86 OPRM1 (0.45) CAPN1OPRM1OPRD1ITGB1F2
SCHEMBL29699495 0.86 KMT2A (0.43) CAPN1PSMB9ITGB1ITGA4
SCHEMBL4258292 0.85 F2 (0.39) ITGB1ITGA4F2NTMT1ACE

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 claimed
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