Sugi Predict

Sugi Predict / Compounds / SCHEMBL29980392

SCHEMBL29980392

SCHEMBL29980392

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCN=C(N)N)NC(=O)CN)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 6/20 0.55
▸ OPRD1 P41143 3/20 0.50
▸ NPBWR1 P48145 2/20 0.48
▸ FURIN P09958 1/20 0.48
▸ PCSK9 Q8NBP7 1/20 0.47
▸ QRFPR Q96P65 1/20 0.47

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
SCHEMBL30980377 0.92 OPRL1 (0.58) OPRL1OPRD1NPBWR1
SCHEMBL29405313 0.84 PSEN1 (0.58) OPRD1NPBWR1
Pexiganan SCHEMBL476400 0.84 PSEN1 (0.58) OPRD1NPBWR1
Pexiganan SCHEMBL15247673 0.84 PSEN1 (0.58) OPRD1NPBWR1
Pexiganan SCHEMBL17513878 0.84 PSEN1 (0.58) OPRD1NPBWR1
SCHEMBL31243863 0.84 HRH1 (0.49) FURIN
SCHEMBL29359498 0.84 GLP1R (0.56) OPRL1
SCHEMBL29410012 0.84 BACE1 (0.58) OPRL1
Pexiganan SCHEMBL487091 0.83 PSEN1 (0.58) OPRD1NPBWR1
Acetic Acid SCHEMBL29396321 0.83 PSEN1 (0.58) OPRD1NPBWR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366738-A1 MOLECULAR VACCINES FOR INFECTIOUS DISEASE AGILENT TECHNOLOGIES INC (US) 2024-11-07 — — US disclosed
US-11992518-B2 Molecular vaccines for infectious disease AGILENT TECHNOLOGIES, INC. (US) 2024-05-28 — — US disclosed
US-20240139242-A1 CAL-T CONSTRUCTS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2024-05-02 — — US disclosed
US-20230321183-A1 CAL-T CONSTRUCTS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-10-12 — — US disclosed
US-11723950-B2 CAL-T constructs and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2023-08-15 — — US disclosed
US-11672853-B2 Methods and compositions for immunization against virus ACADEMIA SINICA (TW) 2023-06-13 — — US disclosed
EP-4093768-A1 CAL-T CONSTRUCTS AND USES THEREOF Trustees of Boston University (US) 2022-11-30 — — EP disclosed
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