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Sugi Predict / Compounds / SCHEMBL9702413

SCHEMBL9702413

SCHEMBL9702413

CC(=O)ON=C[C@@H]1CSCN1C(=O)[C@@H]1C(=S)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 5/20 0.45
▸ HTR2C P28335 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL9702386 0.89 PREP (0.46) PREPSMN1; SMN2
SCHEMBL9702648 0.83 PREP (0.64) PREP
SCHEMBL9702643 0.83 PREP (0.64) PREP
SCHEMBL9701698 0.78 DPP4 (0.48) PREPSMN1; SMN2
SCHEMBL9702297 0.73 PREP (0.59) PREP
SCHEMBL9702301 0.73 PREP (0.59) PREP
SCHEMBL7400021 0.73 NPC1 (0.52) PREPHTR2CCYP2C19SMN1; SMN2
SCHEMBL9704492 0.71 PREP (0.66) PREP
SCHEMBL9704488 0.71 PREP (0.66) PREP
SCHEMBL6204670 0.69 SIGMAR1 (0.49) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118811-A Treatment and prevention of dementia and amnesia JAPAN TOBACCO INC. (JP) 1992-06-02 — — US claimed
EP-0419683-A1 NEW AMINO ACID DERIVATIVES HAVING PROLYLENDOPEPTIDASE INHIBITOR ACTIVITY Japan Tobacco Inc. (JP) 1991-04-03 — — EP claimed
US-5118811-A Treatment and prevention of dementia and amnesia JAPAN TOBACCO INC. (JP) 1992-06-02 — — US disclosed