SCHEMBL6230149

SCHEMBL6230149

CC1CN(C(=O)OC(C)(C)C)CCC1=O.CC1CN(Cc2ccccc2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TACR1 P25103 6/20 0.46
GPR119 Q8TDV5 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
ACHE P22303 1/20 0.45
STS P08842 1/20 0.43
BCHE P06276 1/20 0.42
HTR6 P50406 1/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL467266 0.82 TACR1 (0.62) LMNATACR1ACHEBCHE
SCHEMBL385325 0.82 TACR1 (0.62) LMNATACR1ACHEBCHE
SCHEMBL21241481 0.82 USP2 (0.44) GPR119
SCHEMBL6943959 0.82 TACR1 (0.62) LMNATACR1ACHEBCHE
SCHEMBL104498 0.82 USP2 (0.44) GPR119
SCHEMBL28441771 0.82 USP2 (0.44) GPR119
Ammonia Solution, Strong SCHEMBL28305195 0.81 USP2 (0.42) GPR119
Hydrochloric Acid SCHEMBL10382846 0.81 LMNA (0.64) LMNATACR1ACHE
Iodide SCHEMBL8816299 0.81 TACR1 (0.61) LMNATACR1ACHEBCHE
SCHEMBL7489314 0.79 GPR119 (0.43) TACR1GPR119JAK2JAK1ACHE

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-1590327-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-02 EP disclosed
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed