SCHEMBL4744845

SCHEMBL4744845

CC1(C)Cc2c(CN3CCC(CNC(=O)Cn4ccnc4)CC3)cccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 5/20 0.50
▸ KCNH2 Q12809 5/20 0.50
▸ LMNA P02545 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC3 O15379 3/20 0.36
▸ HDAC4 P56524 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC7 Q8WUI4 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC10 Q969S8 3/20 0.36
▸ HDAC11 Q96DB2 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC9 Q9UKV0 3/20 0.36
▸ HDAC5 Q9UQL6 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TP53 P04637 1/20 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
SCHEMBL4744725 0.88 CCR8 (0.47) CCR8KCNH2LMNAUSP2TSHR
SCHEMBL4786386 0.86 CCR8 (0.44) CCR8KCNH2LMNAUSP2TSHR
SCHEMBL4849541 0.85 HTR4 (0.39) KMT2APOLBLTA4H
SCHEMBL14106876 0.81 CCR8 (0.46) CCR8KCNH2LMNAUSP2TSHR
SCHEMBL4784873 0.80 CCR8 (0.46) CCR8KCNH2LMNAUSP2TSHR
SCHEMBL14107164 0.80 KMT2A (0.40) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL4745502 0.73 CCR8 (0.43) CCR8KCNH2LMNAUSP2TSHR
SCHEMBL4743054 0.73 CCR8 (0.44) CCR8KCNH2LMNAUSP2TSHR
SCHEMBL4743045 0.73 CXCR4 (0.51) CCR8KCNH2
SCHEMBL4744165 0.72 CCR8 (0.46) CCR8KCNH2LMNAUSP2TSHR

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 3 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
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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