SCHEMBL7459658

SCHEMBL7459658

COc1ccc(CN2CC(C(=O)N(CCCN3CCC(Cc4ccccc4)CC3)c3ccccc3)CC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.63
CCR5 P51681 2/20 0.60
ALOX15 P16050 1/20 0.51
ACHE P22303 2/20 0.49
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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 0.93 CCR5 (0.66) OPRM1CCR5ACHE
SCHEMBL7462810 0.91 CCR5 (0.63) OPRM1CCR5ACHESMN1; SMN2
SCHEMBL7465873 0.91 CCR5 (0.62) OPRM1CCR5ACHEALDH1A1
SCHEMBL7463509 0.90 CCR5 (0.60) OPRM1CCR5ACHE
Hydrochloric Acid SCHEMBL7462570 0.88 OPRM1 (0.68) OPRM1CCR5ACHE
SCHEMBL7466859 0.88 CCR5 (0.60) OPRM1CCR5ACHE
SCHEMBL7463909 0.87 CCR5 (0.58) OPRM1CCR5ACHE
SCHEMBL7462545 0.87 CCR5 (0.59) OPRM1CCR5ACHEALDH1A1
SCHEMBL3040135 0.87 CCR5 (0.61) OPRM1CCR5ACHEALDH1A1
SCHEMBL7459649 0.86 CCR5 (0.58) 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
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