SCHEMBL7459649

SCHEMBL7459649

O=C1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2cccc(Cl)c2)CN1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.58
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
SCHEMBL7462545 0.96 CCR5 (0.59) CCR5SLC6A2SLC6A4
SCHEMBL3037256 0.93 CCR5 (0.66) CCR5
SCHEMBL7465873 0.92 CCR5 (0.62) CCR5SLC6A2SLC6A4
SCHEMBL7464249 0.90 CCR5 (0.52) CCR5SLC6A2SLC6A4
SCHEMBL7460443 0.90 CCR5 (0.59) CCR5
Hydrochloric Acid SCHEMBL7462330 0.90 CCR5 (0.62) CCR5SLC6A2SLC6A4
SCHEMBL7462810 0.88 CCR5 (0.63) CCR5
SCHEMBL7466859 0.88 CCR5 (0.60) CCR5
SCHEMBL7463509 0.88 CCR5 (0.60) CCR5
SCHEMBL3040135 0.87 CCR5 (0.61) CCR5SLC6A2SLC6A4

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
EP-1180513-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed