SCHEMBL8027748

SCHEMBL8027748

COC(=O)Cc1nc2cccc(C(=O)N3C[C@@H](CN4CCC(c5ccc(F)cc5)CC4)[C@H](c4ccsc4)C3)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.48

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
SCHEMBL8027242 0.93 CCR5 (0.44) CCR5
SCHEMBL8024025 0.92 CCR5 (0.50) CCR5
SCHEMBL8026049 0.89 CCR5 (0.48) CCR5
SCHEMBL8029411 0.89 CCR5 (0.48) CCR5
SCHEMBL8029446 0.88 CCR5 (0.50) CCR5
SCHEMBL8025375 0.83 CCR5 (0.55) CCR5
SCHEMBL7871142 0.82 CCR5 (0.51) CCR5
SCHEMBL7871145 0.82 CCR5 (0.51) CCR5
SCHEMBL8013477 0.82 CCR5 (0.44) CCR5
SCHEMBL7863007 0.82 CCR5 (0.48) 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
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO disclosed