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SCHEMBL31476431

SCHEMBL31476431

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ GHSR Q92847 3/20 0.53
▸ KISS1R Q969F8 4/20 0.52
▸ IL23R Q5VWK5 3/20 0.52
▸ TUBB4A P04350 2/20 0.52
▸ TUBB P07437 2/20 0.52
▸ TUBA3C P0DPH7 2/20 0.52
▸ TUBA1B P68363 2/20 0.52
▸ TUBA4A P68366 2/20 0.52
▸ TUBB4B P68371 2/20 0.52
▸ TUBB3 Q13509 2/20 0.52
▸ TUBB2A Q13885 2/20 0.52
▸ TUBB8 Q3ZCM7 2/20 0.52
▸ TUBA3E Q6PEY2 2/20 0.52
▸ TUBA1A Q71U36 2/20 0.52
▸ TUBA1C Q9BQE3 2/20 0.52
▸ TUBB6 Q9BUF5 2/20 0.52
▸ TUBB2B Q9BVA1 2/20 0.52
▸ TUBB1 Q9H4B7 2/20 0.52
▸ GLP1R P43220 5/20 0.51

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
SCHEMBL30717240 0.89 C5AR1 (0.63) C5AR1GLP1RNPY2R
SCHEMBL31026125 0.88 GHSR (0.52) GHSRKISS1R
SCHEMBL30903284 0.87 MAPK8 (0.60) C5AR1KISS1RGLP1RNPY2R
SCHEMBL31615137 0.87 GHSR (0.60) C5AR1GHSRKISS1RTUBB4ATUBB
SCHEMBL5200372 0.86 C5AR1 (0.54) C5AR1KISS1R
SCHEMBL30945039 0.86 NPBWR1 (0.62) GHSRKISS1RIL23R
SCHEMBL5200355 0.86 GNRHR (0.64) C5AR1KISS1R
SCHEMBL31026118 0.85 GHSR (0.61) C5AR1GHSRKISS1R
SCHEMBL31026128 0.85 GHSR (0.54) GHSRKISS1R
SCHEMBL29504116 0.85 C5AR1 (0.64) C5AR1KISS1RIL23RGLP1RNPY2R

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
WO-2025054616-A1 PLATFORM APPROACH F-18 RADIOLABELING OF VARIOUS PEPTIDES IN AQUEOUS MEDIUM MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-03-13 — — WO claimed
WO-2025054616-A1 PLATFORM APPROACH F-18 RADIOLABELING OF VARIOUS PEPTIDES IN AQUEOUS MEDIUM MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-03-13 — — WO disclosed
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