SCHEMBL31006922

SCHEMBL31006922

CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTSR2 O95665 7/20 0.51
NTSR1 P30989 7/20 0.51
OPRK1 P41145 1/20 0.48
CAPN1 P07384 6/20 0.47
SORT1 Q99523 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL29611353 0.92 CAPN1 (0.48) NTSR2NTSR1CAPN1SORT1
SCHEMBL29530904 0.90 XIAP (0.48) NTSR2NTSR1CAPN1
SCHEMBL31401992 0.89 NTSR1 (0.58) NTSR2NTSR1OPRK1SORT1
SCHEMBL30687535 0.89 CAPN1 (0.47) NTSR2NTSR1CAPN1CTSB
SCHEMBL30799389 0.89 NTSR2 (0.51) NTSR2NTSR1CAPN1SORT1CTSB
SCHEMBL30397865 0.89 NTSR1 (0.49) NTSR2NTSR1OPRK1CAPN1SORT1
SCHEMBL30439138 0.88 NTSR1 (0.55) NTSR2NTSR1OPRK1SORT1
SCHEMBL30436990 0.88 NTSR1 (0.47) NTSR2NTSR1OPRK1CAPN1SORT1
SCHEMBL30361589 0.87 NTSR2 (0.52) NTSR2NTSR1SORT1
SCHEMBL7757708 0.87 OPRK1 (0.55) NTSR2NTSR1OPRK1

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
CN-118401224-A Cosmetic or cosmeceutical product for skin care and improving skin condition 迈瑞维拓股份公司 2024-07-26 CN disclosed