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SCHEMBL29695397

SCHEMBL29695397

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 4/20 0.56
▸ IL23R Q5VWK5 1/20 0.56
▸ C5AR1 P21730 2/20 0.55
▸ OPRM1 P35372 2/20 0.54
▸ CXCL8 P10145 5/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ DPP3 Q9NY33 5/20 0.53

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
SCHEMBL29855998 0.92 DPP3 (0.60) KISS1RC5AR1OPRM1CXCL8DPP3
SCHEMBL30567724 0.87 CXCL8 (0.58) KISS1RIL23RC5AR1CXCL8
SCHEMBL29993441 0.86 OPRM1 (0.59) KISS1RIL23RC5AR1OPRM1CXCL8
SCHEMBL12890381 0.86 CAPN1 (0.56) KISS1RIL23ROPRM1CXCL8DPP3
SCHEMBL10599958 0.86 DPP3 (0.57) KISS1ROPRM1CXCL8DPP3
SCHEMBL10599944 0.86 DPP3 (0.57) KISS1ROPRM1CXCL8DPP3
SCHEMBL31332301 0.86 CXCL8 (0.59) KISS1RCXCL8DPP3
SCHEMBL30949449 0.85 CAPN1 (0.61) KISS1ROPRM1CXCL8SLC6A2DPP3
SCHEMBL30648460 0.85 KISS1R (0.64) KISS1RCXCL8
SCHEMBL29430208 0.85 IL23R (0.66) KISS1RIL23RCXCL8

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
EP-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
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