SCHEMBL31104091

SCHEMBL31104091

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.58
▸ NTSR2 O95665 17/20 0.55
▸ NTSR1 P30989 16/20 0.55
▸ SORT1 Q99523 13/20 0.54

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
SCHEMBL29357733 0.90 REN (0.57) RENNTSR2NTSR1SORT1
SCHEMBL29665238 0.90 REN (0.53) RENNTSR2NTSR1SORT1
SCHEMBL30483697 0.89 REN (0.54) RENNTSR2NTSR1SORT1
SCHEMBL27204936 0.89 REN (0.50) RENNTSR2NTSR1SORT1
SCHEMBL27204707 0.89 REN (0.50) RENNTSR2NTSR1SORT1
SCHEMBL27172482 0.89 REN (0.50) RENNTSR2NTSR1SORT1
SCHEMBL27172513 0.89 REN (0.50) RENNTSR2NTSR1SORT1
SCHEMBL29615549 0.88 REN (0.51) RENNTSR2NTSR1SORT1
SCHEMBL30733440 0.86 REN (0.64) REN
SCHEMBL27986181 0.86 NTSR2 (0.54) RENNTSR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150477-A1 METHOD FOR PRODUCING AMINO GROUP-CONTAINING COMPOUND, METHOD FOR SEPARATING AMINO GROUP-CONTAINING COMPOUND, AND APPARATUS FOR PRODUCING AMINO GROUP-CONTAINING COMPOUND 株式会社トクヤマ 2024-07-18 — — WO disclosed
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