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Sugi Predict / Compounds / SCHEMBL3423931

SCHEMBL3423931

SCHEMBL3423931

CCOC(=O)Oc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccc(F)c(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 16/20 0.47
▸ FAAH O00519 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ RPA1 P27694 1/20 0.41

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
SCHEMBL1110679 0.91 SLC5A1 (0.51) SLC5A1FAAHMGLL
SCHEMBL3425400 0.87 SLC5A1 (0.46) SLC5A1RPA1
SCHEMBL3427610 0.87 RPA1 (0.45) FAAHMGLLRXFP1RPA1
SCHEMBL1764962 0.87 FAAH (0.55) SLC5A1FAAHMGLLRXFP1RPA1
SCHEMBL3430605 0.86 RXFP1 (0.43) FAAHRXFP1RPA1
SCHEMBL3434799 0.84 RPA1 (0.42) FAAHMGLLRXFP1RPA1
SCHEMBL3430423 0.84 ALDH1A1 (0.44) RXFP1RPA1
SCHEMBL3429460 0.81 RPA1 (0.41) RXFP1RPA1
SCHEMBL3427741 0.81 RXFP1 (0.41) RXFP1RPA1
SCHEMBL3430811 0.80 RPA1 (0.43) FAAHMGLLRXFP1RPA1

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-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 — — EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 — — WO disclosed