SCHEMBL31634803

SCHEMBL31634803

CN(CC(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.45
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CD274 Q9NZQ7 4/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33

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
SCHEMBL6609448 0.87 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7641055 0.84 PNMT (0.41) PNMTNPC1RAB9ACD274HTR7
SCHEMBL7641059 0.83 PNMT (0.42) PNMTNPC1RAB9ACD274HTR7
SCHEMBL26981184 0.82 PNMT (0.41) PNMTNPC1RAB9ACD274HTR7
SCHEMBL30940320 0.81 PNMT (0.43) PNMTNPC1RAB9ACD274HTR7
Hydrochloric Acid SCHEMBL8854105 0.81 PNMT (0.46) PNMTNPC1RAB9ACD274HTR7
SCHEMBL1622969 0.81 PNMT (0.40) PNMTNPC1RAB9ACD274HTR7
SCHEMBL1830400 0.81 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29168371 0.80 CTSK (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6022733 0.80 ITGB3 (0.44) PNMTNPC1RAB9AMAPTKMT2A

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-120202212-A Polypeptide inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-06-24 — — CN disclosed
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