SCHEMBL7465873

SCHEMBL7465873

O=C1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CN1Cc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.62
OPRM1 P35372 4/20 0.49
ALDH1A1 P00352 1/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 1/20 0.48
ACHE P22303 1/20 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
SCHEMBL3037256 0.96 CCR5 (0.66) CCR5OPRM1ACHE
SCHEMBL7462810 0.93 CCR5 (0.63) CCR5OPRM1ACHE
SCHEMBL7463509 0.93 CCR5 (0.60) CCR5OPRM1ACHE
SCHEMBL7462545 0.93 CCR5 (0.59) CCR5OPRM1ALDH1A1SLC6A2SLC6A4
SCHEMBL7466859 0.92 CCR5 (0.60) CCR5OPRM1ACHE
SCHEMBL7459649 0.92 CCR5 (0.58) CCR5SLC6A2SLC6A4
SCHEMBL7459658 0.91 OPRM1 (0.63) CCR5OPRM1ALDH1A1ACHE
SCHEMBL7463909 0.91 CCR5 (0.58) CCR5OPRM1SLC6A2SLC6A4ACHE
SCHEMBL3040135 0.91 CCR5 (0.61) CCR5OPRM1ALDH1A1SLC6A2SLC6A4
SCHEMBL7458584 0.89 CCR5 (0.65) CCR5OPRM1ALDH1A1

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