SCHEMBL7835196

SCHEMBL7835196

O=C(c1ccc(Cl)c(Cl)c1)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.71

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
SCHEMBL7837039 0.94 CCR5 (0.79) CCR5
SCHEMBL8082673 0.91 CCR5 (0.69) CCR5
SCHEMBL7829490 0.90 CCR5 (0.85) CCR5
SCHEMBL7863124 0.88 CCR5 (0.60) CCR5
SCHEMBL7871240 0.88 CCR5 (0.54) CCR5
SCHEMBL7871243 0.88 CCR5 (0.54) CCR5
SCHEMBL7826310 0.88 CCR5 (0.78) CCR5
SCHEMBL7863129 0.86 CCR5 (0.66) CCR5
SCHEMBL7870867 0.86 CCR5 (0.72) CCR5
SCHEMBL7687718 0.85 CCR5 (0.50) 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