SCHEMBL8096574

SCHEMBL8096574

O=C(c1cccc2ccccc12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccc(F)c(F)c2)C1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.81

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 0.90 CCR5 (0.89) CCR5
SCHEMBL7839328 0.90 CCR5 (1.00) CCR5
SCHEMBL7863338 0.88 CCR5 (0.66) CCR5
SCHEMBL8090775 0.88 CCR5 (0.81) CCR5
SCHEMBL8090588 0.87 CCR5 (0.70) CCR5
SCHEMBL7874883 0.85 CCR5 (0.82) CCR5
SCHEMBL7837731 0.84 CCR5 (0.78) CCR5
SCHEMBL7870905 0.84 CCR5 (0.71) CCR5
SCHEMBL7869846 0.84 CCR5 (0.71) CCR5
SCHEMBL7870830 0.83 CCR5 (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166037-A Pyrrolidine and piperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2000-12-26 US disclosed