SCHEMBL29699629

SCHEMBL29699629

CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.50
▸ CAPN1 P07384 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ IL23R Q5VWK5 1/20 0.49
▸ GRPR P30550 4/20 0.49
▸ GLP1R P43220 6/20 0.48
▸ GIPR P48546 6/20 0.48
▸ NMBR P28336 2/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ NPY5R Q15761 1/20 0.47
▸ KISS1R Q969F8 2/20 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
SCHEMBL31670611 0.87 IL23R (0.57) CALCAIL23RGRPRGLP1RGIPR
SCHEMBL31670646 0.84 DPP3 (0.54) CALCACAPN1CTSBIL23RKISS1R
SCHEMBL31058453 0.84 GLP1R (0.55) GLP1RGIPR
SCHEMBL31058456 0.84 C5AR1 (0.56) GLP1RGIPR
SCHEMBL30666394 0.83 CXCR4 (0.63) CALCAGLP1RNPY1RNPY2RNPY4R
SCHEMBL30608612 0.83 GLP1R (0.52) CAPN1CTSBGRPRGLP1RGIPR
SCHEMBL30906530 0.82 CALCA (0.54) CALCAGLP1RGIPRNPY1RNPY2R
SCHEMBL30608584 0.82 GLP1R (0.55) CAPN1CTSBGLP1RGIPRNPY1R
SCHEMBL30608594 0.82 CAPN1 (0.54) CAPN1CTSBGRPRGLP1RGIPR
SCHEMBL31019423 0.82 CAPN1 (0.53) CAPN1CTSBGRPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220170933-A1 METHOD FOR DIAGNOSING AND STAGING HERPESVIRUS-MEDIATED NEURODEGENERATION CUTLER RICHELLE GAYLE (US) 2022-06-02 — — US claimed
US-20240173375-A1 CHEMOTACTIC AUTOPHAGY-INHIBITING PEPTIDE, COMPOSITIONS AND METHODS RELATED THERETO BIOTEMPT B.V. (NL) 2024-05-30 — — US disclosed
EP-4301391-A1 CHEMOTACTIC AUTOPHAGY-INHIBITING PEPTIDE, COMPOSITIONS AND METHODS RELATED THERETO Biotempt B.V. (NL) 2024-01-10 — — EP disclosed
WO-2022186690-A1 CHEMOTACTIC AUTOPHAGY-INHIBITING PEPTIDE, COMPOSITIONS AND METHODS RELATED THERETO. BIOTEMPT B.V. (NL) 2022-09-09 — — WO disclosed
US-20220170933-A1 METHOD FOR DIAGNOSING AND STAGING HERPESVIRUS-MEDIATED NEURODEGENERATION CUTLER RICHELLE GAYLE (US) 2022-06-02 — — US disclosed
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