SCHEMBL7669659

SCHEMBL7669659

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

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.69

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
SCHEMBL7666822 1.00 CCR5 (0.69) CCR5
SCHEMBL7666820 1.00 CCR5 (0.69) CCR5
SCHEMBL7674545 0.91 CCR5 (0.72) CCR5
SCHEMBL7671041 0.91 CCR5 (0.72) CCR5
SCHEMBL7662544 0.91 CCR5 (0.72) CCR5
SCHEMBL7662546 0.91 CCR5 (0.72) CCR5
SCHEMBL7672766 0.91 CCR5 (0.72) CCR5
SCHEMBL7671046 0.91 CCR5 (0.72) CCR5
SCHEMBL7669716 0.91 CCR5 (0.67) CCR5
SCHEMBL7673004 0.91 CCR5 (0.67) 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