SCHEMBL5860897

SCHEMBL5860897

CO[C@@H](C(=O)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 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
SCHEMBL7776703 0.87 CCR5 (0.68) CCR5
SCHEMBL7773120 0.87 CCR5 (0.68) CCR5
SCHEMBL6699449 0.83 CCR5 (0.69) CCR5
SCHEMBL5860806 0.82 CCR5 (0.87) CCR5
SCHEMBL5862111 0.82 CCR5 (1.00) CCR5
SCHEMBL5861278 0.82 CCR5 (1.00) CCR5
SCHEMBL5862128 0.82 CCR5 (1.00) CCR5
SCHEMBL14514119 0.81 CCR5 (0.70) CCR5
SCHEMBL5861294 0.80 CCR5 (0.69) CCR5
SCHEMBL5861206 0.80 CCR5 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013276-A1 Aminoazacycloalkanes as CCR5 modulators PFIZER INC. (US) 2000-06-28 EP claimed
US-7041667-B1 CCR5 modulators PFIZER, INC. (US) 2006-05-09 US disclosed
US-20010039026-A1 Assay method PFIZER INC. 2001-11-08 US disclosed
EP-1118858-A2 Assay method Pfizer Limited (GB) 2001-07-25 EP disclosed