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Sugi Predict / Compounds / SCHEMBL7833706

SCHEMBL7833706

SCHEMBL7833706

O=C(c1cccnc1)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 1.00

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
SCHEMBL7837171 0.90 CCR5 (0.87) CCR5
SCHEMBL8082678 0.90 CCR5 (1.00) CCR5
SCHEMBL7835204 0.90 CCR5 (1.00) CCR5
SCHEMBL7837017 0.90 CCR5 (1.00) CCR5
SCHEMBL7817460 0.84 CCR5 (0.87) CCR5
SCHEMBL7840120 0.83 CCR5 (1.00) CCR5
SCHEMBL7829490 0.83 CCR5 (0.85) CCR5
SCHEMBL7828307 0.83 CCR5 (0.85) CCR5
SCHEMBL7828630 0.83 CCR5 (0.85) CCR5
SCHEMBL7829079 0.83 CCR5 (0.85) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009405-A4 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2001-05-09 — — EP disclosed
US-6166037-A Pyrrolidine and piperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2000-12-26 — — US disclosed
EP-1009405-A1 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2000-06-21 — — EP disclosed
WO-1999009984-A1 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1999-03-04 — — WO disclosed