SCHEMBL4586114

SCHEMBL4586114

COC(=O)c1ccc(Oc2ccc(N(C3CCNCC3)[C@H](C)CCNC(=O)c3c(C)ncnc3C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.44
HTR2A P28223 1/20 0.33

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
SCHEMBL4585642 0.75 LOXL2 (0.39)
SCHEMBL4244937 0.73 CCR5 (0.52) CCR5
SCHEMBL4241170 0.67 CCR5 (0.79) CCR5
SCHEMBL4240530 0.67 CCR5 (0.85) CCR5
SCHEMBL13911399 0.66 CCR5 (0.85) CCR5
SCHEMBL4585644 0.64 MAPT (0.40) CCR5
SCHEMBL18361035 0.64 NOTUM (0.46)
SCHEMBL18361366 0.63 MEN1 (0.44)
Hydrochloric Acid SCHEMBL21043567 0.62 MEN1 (0.44)
SCHEMBL18361056 0.61 MEN1 (0.41)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed