SCHEMBL9056571

SCHEMBL9056571

CC(NS(C)(=O)=O)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
ACHE P22303 1/20 0.44
MC4R P32245 1/20 0.43
GPR119 Q8TDV5 4/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
STS P08842 2/20 0.42
PTPN11 Q06124 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL9056581 1.00 NAMPT (0.44) NAMPTACHEMC4RGPR119SMARCA2
SCHEMBL18878434 0.83 GPR119 (0.50) NAMPTACHEMC4RGPR119SMARCA2
SCHEMBL9057950 0.82 GPR119 (0.49) NAMPTACHEMC4RGPR119SMARCA2
SCHEMBL8567337 0.82 GPR119 (0.49) NAMPTACHEMC4RGPR119SMARCA2
SCHEMBL8561483 0.81 SMARCA2 (0.50) NAMPTACHEMC4RGPR119SMARCA2
SCHEMBL8561486 0.81 SMARCA2 (0.50) NAMPTACHEMC4RGPR119SMARCA2
SCHEMBL22605981 0.81 GPR119 (0.48) NAMPTACHEMC4RGPR119SMARCA2
SCHEMBL5374555 0.80 L3MBTL1 (0.47) ACHEGPR119CKS1BSKP1SKP2
SCHEMBL14570987 0.80 L3MBTL1 (0.47) ACHEGPR119CKS1BSKP1SKP2
SCHEMBL4513123 0.79 NPY5R (0.48) NAMPTGPR119SMARCA2SMARCA4PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996010568-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1996-04-11 WO disclosed