SCHEMBL7669362

SCHEMBL7669362

CCCN(C(=O)OCc1ccccc1)C1CCN(CC2CC(N(C)C(=S)NC)CC2c2ccccc2)CC1

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
SCHEMBL7665210 0.91 CCR5 (0.62) CCR5
SCHEMBL7669546 0.89 CCR5 (0.59) CCR5
SCHEMBL7668410 0.88 CCR5 (0.58) CCR5
SCHEMBL7666829 0.88 CCR5 (0.58) CCR5
SCHEMBL7674353 0.88 CCR5 (0.58) CCR5
SCHEMBL7669213 0.88 CCR5 (0.56) CCR5
SCHEMBL7666770 0.87 CCR5 (0.63) CCR5
SCHEMBL7666771 0.87 CCR5 (0.59) CCR5
SCHEMBL7674979 0.86 CCR5 (0.56) CCR5
Hydrochloric Acid SCHEMBL7668809 0.85 CCR5 (0.59) 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-6500844-B1 PIPERIDINYL-1-METHYLCYCLOPENTANES AND STEREOISOMERS, USED AS ANTIINFLAMMATORY AND PROPHYLACTIC AGENTS AGAINST ALLERGIC RHINITIS, DERMATITIS, VISION DEFECTS, ASTHMA, ATHRITIS AND FOR PREVENTION OR DELAY OF AQUIRED IMMUNE DIFICIENCY SYNDROME MERCK & CO., INC. 2002-12-31 US disclosed