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Sugi Predict / Compounds / SCHEMBL3668054

SCHEMBL3668054

SCHEMBL3668054

CSc1ccccc1NC1CCN(C(=O)O)[C@H](N(Cc2ccccc2)Cc2ccccc2)C1CCCc1ccccc1.Nc1nc2ccccc2n1C1CCN(C(=O)O)[C@@H](CCCN(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ASAH1 Q13510 1/20 0.30

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
SCHEMBL3806769 0.74 FPR2 (0.41) —
SCHEMBL4678002 0.71 CCR5 (0.42) ALDH1A1GAASMN1; SMN2
SCHEMBL3672296 0.70 DRD2 (0.37) ALDH1A1
SCHEMBL3667025 0.69 CACNA1G (0.36) —
SCHEMBL4675598 0.67 CYP3A4 (0.40) —
SCHEMBL1838649 0.67 DRD2 (0.41) ALDH1A1
SCHEMBL4674483 0.67 ALDH1A1 (0.45) ALDH1A1GAA
SCHEMBL4734970 0.67 LMNA (0.42) —
SCHEMBL3802612 0.66 OPRK1 (0.33) ALDH1A1
SCHEMBL4896395 0.66 OPRK1 (0.33) ALDH1A1

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
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 — — EP disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO disclosed
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