SCHEMBL30332807

SCHEMBL30332807

CN(CCO)CCOC(=O)N(c1ccc(C(F)(F)F)cc1)c1nccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ SLC6A9 P48067 2/20 0.36
▸ LIPE Q05469 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CNR2 P34972 4/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ SLC6A7 Q99884 1/20 0.34
▸ NOD1 Q9Y239 2/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDE4B Q07343 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
SCHEMBL2953240 1.00 KMO (0.38) KMOSCN9ASLC6A9LIPECDK4
SCHEMBL14003560 0.92 KMO (0.41) KMOSLC6A9LIPECDK4CCND3
SCHEMBL14028801 0.89 KMO (0.41) KMOLIPECDK4CCND3GSK3B
SCHEMBL14003561 0.88 KDM4E (0.40) KMOSCN9ALIPECDK4CCND3
SCHEMBL14028843 0.86 KMO (0.42) KMOLIPECDK4CCND3GSK3B
SCHEMBL14028798 0.86 KMO (0.43) KMOLIPECDK4CCND3GSK3B
SCHEMBL14003570 0.86 KMO (0.39) KMOSCN9ACDK4CCND3GSK3B
SCHEMBL14028842 0.85 KMO (0.41) KMOLIPECDK4CCND3GSK3B
SCHEMBL3138575 0.85 KMO (0.38) KMOCDK4TRPV1NOD1NOD2
SCHEMBL14003548 0.84 KMO (0.39) KMOLIPECDK4CCND3GSK3B

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-3522902-B1 PROBIOTIC BACTERIA PRODUCING AN AHR AGONIST AND THEIR USE IN THE TREATMENT OF METABOLIC SYNDROME AND OBESITY INSTITUT NATIONAL DE RECH POUR LAGRICULTURE LALIMENTATION ET LENVIRONNEMENT (FR) 2025-09-03 — — EP disclosed
EP-4114420-A1 COPROCOCCUS BACTERIA FOR USE IN THE TREATMENT OF METABOLIC SYNDROME AND INFLAMMATORY BOWEL DISEASES Institut national de recherche pour l'agriculture, l'alimentation et l'environnement (FR) 2023-01-11 — — EP disclosed
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