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Sugi Predict / Compounds / SCHEMBL7666282

SCHEMBL7666282

SCHEMBL7666282

CCCN(C(=O)OCc1ccc(Cl)cc1)C1CCN(C[C@H]2CC(N(C3CCC3)[C@@H](C)C(=O)O)C[C@@H]2c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.53
▸ HTR2A P28223 1/20 0.42

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
Hydrochloric Acid SCHEMBL7674519 0.84 CCR5 (0.57) CCR5HTR2A
SCHEMBL7669343 0.83 CCR5 (0.57) CCR5
SCHEMBL7663598 0.82 CCR5 (0.51) CCR5
SCHEMBL7665210 0.81 CCR5 (0.62) CCR5
Hydrochloric Acid SCHEMBL7675133 0.80 CCR5 (0.57) CCR5
SCHEMBL7674979 0.80 CCR5 (0.56) CCR5
Hydrochloric Acid SCHEMBL7663728 0.80 CCR5 (0.57) CCR5HTR2A
SCHEMBL7669546 0.79 CCR5 (0.59) CCR5
Hydrochloric Acid SCHEMBL7668809 0.79 CCR5 (0.59) CCR5
SCHEMBL7666770 0.79 CCR5 (0.63) CCR5

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
US-6472410-B1 N-cyclopentyl modulators of chemokine receptor activity MERCK & CO., INC. 2002-10-29 — — US disclosed