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SCHEMBL30980371

SCHEMBL30980371

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 11/20 0.61
▸ NMUR1 Q9HB89 10/20 0.57
▸ F2 P00734 5/20 0.56
▸ NTSR1 P30989 2/20 0.55
▸ KEAP1 Q14145 1/20 0.55
▸ CRHR1 P34998 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ NTSR2 O95665 1/20 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
SCHEMBL29365606 0.84 KEAP1 (0.56) NMUR2NMUR1F2NTSR1KEAP1
SCHEMBL29587191 0.84 F2 (0.64) NMUR2F2NTSR1CRHR1CRHR2
SCHEMBL30567703 0.82 NPY2R (0.63) F2CRHR1CRHR2
SCHEMBL30495609 0.81 CALCRL (0.54) NMUR2NMUR1
SCHEMBL30273396 0.81 NPY2R (0.58) —
SCHEMBL30725654 0.80 NMUR2 (0.54) NMUR2NMUR1F2NTSR1NTSR2
SCHEMBL29352561 0.80 KEAP1 (0.64) NMUR2NMUR1F2KEAP1CRHR1
SCHEMBL31182729 0.80 CALCR (0.61) F2CRHR1CRHR2
SCHEMBL31182783 0.80 CALCR (0.63) F2
SCHEMBL29616162 0.80 NTSR1 (0.59) F2NTSR1NTSR2

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
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
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