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Sugi Predict / Compounds / Cyclohexanol

Cyclohexanol

Cyclohexanol

SCHEMBL4696704

Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ncnc4C)CC3C2)C(=O)O)cc1Cl.OC1CCCCC1

nearest known ligand 0.46

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 13/20 0.46
▸ CCL5 P13501 13/20 0.45

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
Cyclopropane SCHEMBL4694918 0.95 CCR5 (0.46) CCR5CCL5
Cyclohexanone SCHEMBL4694903 0.91 CCR5 (0.43) CCR5CCL5
Cyclopropane SCHEMBL4691469 0.88 CCR5 (0.48) CCR5CCL5
SCHEMBL4691909 0.88 CCR5 (0.48) CCR5CCL5
Cyclopentane SCHEMBL4696746 0.88 CCR5 (0.48) CCR5CCL5
Cyclohexane SCHEMBL4695443 0.88 CCR5 (0.48) CCR5CCL5
SCHEMBL4694613 0.87 CCR5 (0.49) CCR5CCL5
SCHEMBL4693188 0.86 CCR5 (0.46) CCR5CCL5
SCHEMBL4696008 0.86 CCR5 (0.49) CCR5CCL5
SCHEMBL4972731 0.86 CCR5 (0.49) CCR5CCL5

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
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP claimed