SCHEMBL30940318

SCHEMBL30940318

CN(C(=O)OCc1cccc2c1Cc1ccccc1-2)[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL26981184 0.82 PNMT (0.41) PNMTFOLH1NPC1RAB9AITGB3
SCHEMBL28512979 0.81 ACE (0.38) PNMTFOLH1
Triphenylmethanol SCHEMBL15361971 0.81 PNMT (0.36) PNMTNPC1RAB9AITGB3ITGA2B
SCHEMBL30148112 0.81 ACE (0.38) PNMTFOLH1
SCHEMBL30027910 0.81 ACE (0.38) PNMTFOLH1
SCHEMBL29168371 0.80 CTSK (0.40) PNMTNPC1RAB9AITGB3ITGA2B
SCHEMBL6022774 0.80 ITGB3 (0.44) PNMTFOLH1NPC1RAB9AITGB3
SCHEMBL6022733 0.80 ITGB3 (0.44) PNMTFOLH1NPC1RAB9AITGB3
SCHEMBL27658685 0.80 PNMT (0.38) PNMTNPC1RAB9AITGB3ITGA2B
Hydrochloric Acid SCHEMBL28300337 0.79 PNMT (0.38) PNMTFOLH1NPC1RAB9AITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024153243-A1 MODIFIED PEPTIDE AS TREM-1 INHIBITOR 武汉人福创新药物研发中心有限公司 2024-07-25 — — WO disclosed
CN-118359676-A Modified peptides as Trem-1 inhibitors 武汉人福创新药物研发中心有限公司 2024-07-19 — — CN disclosed
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