SCHEMBL5255658

SCHEMBL5255658

COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccccc1OC(C)=O)CC2

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.72
KCNH2 Q12809 8/20 0.72
CYP2D6 P10635 10/20 0.64
TSHR P16473 2/20 0.64
USP2 O75604 3/20 0.60
CYP3A4 P08684 2/20 0.60
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53

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
SCHEMBL4238747 0.87 CCR8 (0.73) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5247234 0.87 CCR8 (0.73) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4234222 0.86 CCR8 (0.72) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5219133 0.84 CCR8 (0.71) CCR8KCNH2CYP2D6TSHRSMN1; SMN2
SCHEMBL2076183 0.84 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL2074540 0.84 CCR8 (0.71) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5196417 0.84 CCR8 (0.75) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL5229766 0.83 CCR8 (0.74) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL4228144 0.82 CCR8 (0.67) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL2077078 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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