SCHEMBL30940320

SCHEMBL30940320

C[C@@H](C(=O)O)N(C)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.43
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CD274 Q9NZQ7 2/20 0.36
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32

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
SCHEMBL29168371 0.87 CTSK (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL26981184 0.87 PNMT (0.41) PNMTNPC1RAB9ACD274HTR7
SCHEMBL29168333 0.86 PNMT (0.41) PNMTNPC1RAB9ACD274HTR7
SCHEMBL6022733 0.85 ITGB3 (0.44) PNMTNPC1RAB9APTGER1PTGER4
SCHEMBL6022774 0.85 ITGB3 (0.44) PNMTNPC1RAB9APTGER1PTGER4
SCHEMBL27658685 0.82 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28333729 0.82 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL28300337 0.82 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL31634803 0.81 PNMT (0.45) PNMTNPC1RAB9ACD274HTR7
SCHEMBL18764817 0.81 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B

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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