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Sugi Predict / Compounds / SCHEMBL7837830

SCHEMBL7837830

SCHEMBL7837830

CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1

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
SCHEMBL7836684 1.00 CCR5 (1.00) CCR5
SCHEMBL7824438 1.00 CCR5 (1.00) CCR5
SCHEMBL7838237 0.89 CCR5 (1.00) CCR5
SCHEMBL7823903 0.89 CCR5 (1.00) CCR5
SCHEMBL7838383 0.86 CCR5 (1.00) CCR5
SCHEMBL7837782 0.85 CCR5 (1.00) CCR5
SCHEMBL7826323 0.84 CCR5 (1.00) CCR5
SCHEMBL14454577 0.83 CCR5 (1.00) CCR5
SCHEMBL7839226 0.79 CCR5 (1.00) CCR5
Hydrochloric Acid SCHEMBL7664340 0.78 CCR5 (0.69) 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