Sugi Predict

Sugi Predict / Compounds / SCHEMBL7836739

SCHEMBL7836739

SCHEMBL7836739

O=S(=O)(c1ccccc1)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
SCHEMBL7835509 0.93 CCR5 (0.87) CCR5
SCHEMBL7817814 0.92 CCR5 (0.85) CCR5
SCHEMBL7826200 0.88 CCR5 (0.78) CCR5
SCHEMBL8094130 0.84 CCR5 (0.74) CCR5
SCHEMBL7836855 0.83 CCR5 (0.71) CCR5
SCHEMBL7825773 0.79 CCR5 (0.65) CCR5
SCHEMBL7828983 0.78 CCR5 (0.63) CCR5
SCHEMBL7833941 0.76 CCR5 (0.67) CCR5
SCHEMBL12592397 0.75 CCR5 (1.00) CCR5
SCHEMBL7836524 0.75 CCR5 (1.00) 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