SCHEMBL5225972

SCHEMBL5225972

COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(C(=O)O)CC3)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 15/20 0.75
KCNH2 Q12809 9/20 0.75
MGLL Q99685 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP2D6 P10635 3/20 0.55
TSHR P16473 1/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL4236177 0.88 CCR8 (0.73) CCR8KCNH2MGLLCYP2D6TSHR
SCHEMBL5197063 0.88 CCR8 (0.74) CCR8KCNH2MGLLCYP2D6USP2
SCHEMBL2074176 0.87 CCR8 (0.69) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL2074538 0.86 CCR8 (0.82) CCR8KCNH2MEN1KMT2ACYP2D6
SCHEMBL4234799 0.86 CCR8 (1.00) CCR8KCNH2MEN1KMT2ACYP2D6
SCHEMBL4234679 0.85 CCR8 (0.69) CCR8KCNH2MGLLCYP2D6TSHR
SCHEMBL4233294 0.85 CCR8 (0.69) CCR8KCNH2MEN1KMT2ACYP2D6
SCHEMBL5219133 0.85 CCR8 (0.71) CCR8KCNH2MGLLCYP2D6TSHR
SCHEMBL4233922 0.85 CCR8 (0.78) CCR8KCNH2MEN1KMT2ACYP2D6
SCHEMBL4187120 0.84 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869045-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP disclosed
EP-1869044-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006107254-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 WO disclosed
WO-2006107253-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 WO disclosed