SCHEMBL8089427

SCHEMBL8089427

c1ccc(CN2CC(CN3CCCC(c4ccccc4)CC3)C(c3ccccc3)C2)cc1

nearest known ligand 0.90

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.90

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
SCHEMBL8089213 0.95 CCR5 (1.00) CCR5
SCHEMBL7817654 0.95 CCR5 (1.00) CCR5
SCHEMBL8090790 0.95 CCR5 (1.00) CCR5
SCHEMBL7824856 0.89 CCR5 (0.88) CCR5
SCHEMBL7824412 0.87 CCR5 (0.85) CCR5
SCHEMBL7834595 0.85 CCR5 (1.00) CCR5
SCHEMBL7816189 0.84 CCR5 (0.80) CCR5
SCHEMBL8082712 0.84 CCR5 (1.00) CCR5
SCHEMBL7868394 0.84 CCR5 (0.78) CCR5
SCHEMBL8090608 0.84 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 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