SCHEMBL7837731

SCHEMBL7837731

O=C(c1ccc(F)c2ccccc12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.78

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
SCHEMBL7863181 0.91 CCR5 (0.65) CCR5
SCHEMBL7838651 0.88 CCR5 (1.00) CCR5
SCHEMBL7839328 0.86 CCR5 (1.00) CCR5
SCHEMBL7833271 0.85 CCR5 (0.89) CCR5
SCHEMBL8096574 0.84 CCR5 (0.81) CCR5
SCHEMBL7818390 0.82 CCR5 (0.78) CCR5
SCHEMBL7833809 0.82 CCR5 (0.81) CCR5
SCHEMBL7835204 0.82 CCR5 (1.00) CCR5
SCHEMBL8082678 0.82 CCR5 (1.00) CCR5
SCHEMBL7837017 0.82 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