SCHEMBL7665221

SCHEMBL7665221

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

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.68

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
SCHEMBL7675670 1.00 CCR5 (0.68) CCR5
SCHEMBL7673931 1.00 CCR5 (0.68) CCR5
SCHEMBL7666767 1.00 CCR5 (0.68) CCR5
SCHEMBL7665218 1.00 CCR5 (0.68) CCR5
SCHEMBL7668948 0.91 CCR5 (0.70) CCR5
SCHEMBL7675636 0.91 CCR5 (0.70) CCR5
SCHEMBL7668946 0.91 CCR5 (0.70) CCR5
SCHEMBL7666851 0.90 CCR5 (0.72) CCR5
SCHEMBL7667172 0.90 CCR5 (0.72) CCR5
SCHEMBL7666857 0.90 CCR5 (0.72) 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