SCHEMBL7938402

SCHEMBL7938402

CCn1ncc(CCc2ccccc2)c1C1CCN(CC2CN([C@@H](C(=O)O)C(C)C)CC2c2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.78

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
SCHEMBL7938399 1.00 CCR5 (0.78) CCR5
SCHEMBL7548513 0.88 CCR5 (1.00) CCR5
SCHEMBL7542220 0.81 CCR5 (1.00) CCR5
SCHEMBL7550208 0.81 CCR5 (0.72) CCR5
SCHEMBL7548515 0.81 CCR5 (0.68) CCR5
SCHEMBL7546503 0.76 CCR5 (0.87) CCR5
SCHEMBL7545273 0.75 CCR5 (0.65) CCR5
SCHEMBL7545278 0.75 CCR5 (0.65) CCR5
SCHEMBL5764111 0.74 CCR5 (0.54) CCR5
SCHEMBL7542224 0.74 CCR5 (0.68) 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-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed