SCHEMBL4786386

SCHEMBL4786386

CC1(C)Oc2cccc(CN3CCC(CNC(=O)Cn4ccnc4)CC3)c2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HTR4 Q13639 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ MT-CO2 P00403 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35

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
SCHEMBL4849541 0.89 HTR4 (0.39) HTR4KMT2APOLBLTA4HCHRM4
SCHEMBL4744725 0.86 CCR8 (0.47) CCR8KCNH2KMT2APOLBLMNA
SCHEMBL4744845 0.86 CCR8 (0.50) CCR8KCNH2KMT2APOLBLMNA
SCHEMBL4784873 0.84 CCR8 (0.46) CCR8KCNH2KMT2APOLBLMNA
SCHEMBL4741443 0.81 CCR8 (0.45) CCR8KCNH2HTR4KMT2APOLB
SCHEMBL14107164 0.80 KMT2A (0.40) KMT2APOLBLMNATP53THRB
SCHEMBL4745502 0.71 CCR8 (0.43) CCR8KCNH2HTR4KMT2APOLB
SCHEMBL4788714 0.70 KMT2A (0.39) CCR8KCNH2HTR4KMT2APOLB
SCHEMBL4743054 0.70 CCR8 (0.44) CCR8KCNH2HTR4KMT2APOLB
SCHEMBL4744165 0.69 CCR8 (0.46) CCR8KCNH2KMT2APOLBLMNA

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
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 — — WO claimed
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 — — WO disclosed
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