SCHEMBL28111222

SCHEMBL28111222

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)CN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.63
▸ NTSR1 P30989 9/20 0.61
▸ NTSR2 O95665 6/20 0.61
▸ NMUR2 Q9GZQ4 2/20 0.59
▸ SORT1 Q99523 5/20 0.56
▸ NMUR1 Q9HB89 1/20 0.55

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
SCHEMBL29580406 0.91 NTSR1 (0.63) F2NTSR1NTSR2SORT1
SCHEMBL24195742 0.91 F2 (0.65) F2NTSR1NTSR2NMUR2NMUR1
SCHEMBL30969929 0.89 F2 (0.58) F2NTSR1NTSR2SORT1
SCHEMBL29552077 0.89 AGTR2 (0.61) F2NTSR1NTSR2SORT1
SCHEMBL29860120 0.89 F2 (0.64) F2NTSR1NTSR2SORT1
SCHEMBL30637760 0.88 NTSR1 (0.64) NTSR1NTSR2SORT1
SCHEMBL29860392 0.88 NTSR1 (0.64) NTSR1NTSR2SORT1
SCHEMBL19997379 0.88 NTSR1 (0.62) F2NTSR1NTSR2SORT1
SCHEMBL31267154 0.88 NMUR2 (0.61) F2NTSR1NTSR2NMUR2SORT1
SCHEMBL29463723 0.87 AGTR2 (0.59) F2NTSR1NTSR2SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119345322-B Traditional Chinese medicine composition for relieving cerebral degenerative disorders and preparation method and application thereof 中国人民解放军总医院第六医学中心 2025-03-14 — — CN disclosed
CN-119345322-A Traditional Chinese medicine composition for relieving cerebral degenerative disorders and preparation method and application thereof 中国人民解放军总医院第六医学中心 2025-01-24 — — CN disclosed
CN-112870435-A rH-PLGA/PEI microsphere and dopamine modified small-caliber intravascular stent material and preparation method thereof 华南理工大学 2021-06-01 — — CN disclosed
CN-106110313-A A kind of pharmaceutical composition treating cerebral thrombosis and preparation method thereof 济南星懿医药技术有限公司 2016-11-16 — — CN disclosed
Send feedback