SCHEMBL7735876

SCHEMBL7735876

CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.63

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
SCHEMBL7730565 0.88 CCR5 (0.63) CCR5
SCHEMBL7731205 0.83 CCR5 (0.61) CCR5
SCHEMBL7731201 0.83 CCR5 (0.61) CCR5
SCHEMBL7736194 0.81 CCR5 (0.52) CCR5
SCHEMBL7732746 0.81 CCR5 (0.49) CCR5
SCHEMBL13326643 0.78 CCR5 (1.00) CCR5
SCHEMBL7826323 0.77 CCR5 (1.00) CCR5
SCHEMBL7666414 0.76 CCR5 (0.67) CCR5
SCHEMBL7823903 0.75 CCR5 (1.00) CCR5
SCHEMBL7732917 0.75 CCR5 (0.57) 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-6399619-B1 PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV MERCK & CO., INC. 2002-06-04 US disclosed