SCHEMBL8089197

SCHEMBL8089197

O=C1CC2(CCN(CC3CN(C(=O)c4cccc(Cl)c4Cl)CC3c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.56

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
SCHEMBL7870851 0.91 CCR5 (0.46) CCR5
SCHEMBL7826160 0.87 CCR5 (0.65) CCR5
SCHEMBL7836260 0.86 CCR5 (0.60) CCR5
SCHEMBL8082670 0.85 CCR5 (0.51) CCR5
SCHEMBL7838241 0.81 CCR5 (0.50) CCR5
SCHEMBL7836168 0.79 CCR5 (0.86) CCR5
SCHEMBL7872015 0.79 CCR5 (0.53) CCR5
SCHEMBL7869705 0.76 CCR5 (0.42) CCR5
SCHEMBL7870848 0.76 CCR5 (0.47) CCR5
SCHEMBL2336061 0.73 CCR5 (0.60) 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