SCHEMBL30400308

SCHEMBL30400308

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 16/20 0.53
▸ NTSR2 O95665 15/20 0.53
▸ SORT1 Q99523 14/20 0.53
▸ F2 P00734 1/20 0.48
▸ OPRM1 P35372 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
SCHEMBL30401887 0.96 NTSR1 (0.51) NTSR1NTSR2SORT1F2
SCHEMBL30400964 0.96 NTSR1 (0.51) NTSR1NTSR2SORT1F2
SCHEMBL30311177 0.92 NTSR2 (0.49) NTSR1NTSR2SORT1F2OPRM1
SCHEMBL30936189 0.89 KDM1A (0.47) NTSR1NTSR2SORT1OPRM1
SCHEMBL30402067 0.89 KDM1A (0.47) NTSR1NTSR2SORT1OPRM1
SCHEMBL30399486 0.89 KDM1A (0.47) NTSR1NTSR2SORT1OPRM1
SCHEMBL30844319 0.89 F2 (0.49) NTSR1NTSR2SORT1F2OPRM1
SCHEMBL30402076 0.89 NTSR1 (0.47) NTSR1NTSR2SORT1
SCHEMBL30844260 0.88 F2 (0.48) NTSR1NTSR2SORT1F2OPRM1
SCHEMBL30402058 0.88 NTSR1 (0.48) NTSR1NTSR2SORT1OPRM1

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-116003529-A Polypeptide and application thereof in repairing mucous membrane injury or skin injury 四川好医生攀西药业有限责任公司 2023-04-25 — — CN disclosed
Send feedback