Sugi Predict

Sugi Predict / Compounds / SCHEMBL7839328

SCHEMBL7839328

SCHEMBL7839328

O=C(c1cccc2ccccc12)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
SCHEMBL7833271 0.94 CCR5 (0.89) CCR5
SCHEMBL7874883 0.91 CCR5 (0.82) CCR5
SCHEMBL7874833 0.91 CCR5 (0.82) CCR5
SCHEMBL7870825 0.91 CCR5 (0.82) CCR5
SCHEMBL7870830 0.91 CCR5 (0.82) CCR5
SCHEMBL8096574 0.90 CCR5 (0.81) CCR5
SCHEMBL8090775 0.90 CCR5 (0.81) CCR5
SCHEMBL7829388 0.88 CCR5 (0.79) CCR5
SCHEMBL7829337 0.87 CCR5 (0.76) CCR5
SCHEMBL7874891 0.86 CCR5 (0.76) 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