SCHEMBL31147164

SCHEMBL31147164

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 11/20 0.49
▸ NTSR2 O95665 8/20 0.49
▸ SORT1 Q99523 4/20 0.49
▸ CAPN1 P07384 3/20 0.48
▸ CTSB P07858 1/20 0.47
▸ SLC6A2 P23975 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
SCHEMBL31241382 0.88 GRB2 (0.49) NTSR1NTSR2CAPN1CTSBSLC6A2
SCHEMBL29611574 0.86 CAPN1 (0.50) NTSR1NTSR2SORT1CAPN1
SCHEMBL29987342 0.85 REN (0.50) NTSR1NTSR2SORT1
SCHEMBL30422906 0.85 GRB2 (0.51) NTSR1NTSR2SORT1CAPN1
SCHEMBL30869182 0.84 CAPN1 (0.49) NTSR1NTSR2SORT1CAPN1CTSB
SCHEMBL31127570 0.84 OPRK1 (0.49) NTSR1NTSR2CAPN1
SCHEMBL29611599 0.83 CAPN1 (0.48) NTSR1NTSR2SORT1CAPN1
SCHEMBL29462921 0.83 GRB2 (0.51) NTSR1NTSR2SORT1CAPN1
SCHEMBL29611741 0.83 CAPN1 (0.56) NTSR1CAPN1CTSB
SCHEMBL31127567 0.83 OPRK1 (0.48) NTSR1NTSR2CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118557698-A Application of urechis unicinctus modified polypeptide in preparation of drug for treating alcoholic liver injury 北京石油化工学院 2024-08-30 — — CN claimed
CN-118557698-A Application of urechis unicinctus modified polypeptide in preparation of drug for treating alcoholic liver injury 北京石油化工学院 2024-08-30 — — CN disclosed
CN-118557698-A Application of urechis unicinctus modified polypeptide in preparation of drug for treating alcoholic liver injury 北京石油化工学院 2024-08-30 — — CN disclosed
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