SCHEMBL6535932

SCHEMBL6535932

CC(C)(C)OC(=O)NCC1CC(O)CCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
ACACB O00763 3/20 0.44
ACACA Q13085 3/20 0.44
DRD2 P14416 2/20 0.44
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
GPR119 Q8TDV5 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
SCHEMBL10682348 0.90 KMT2A (0.51) KMT2AL3MBTL1CKS1BSKP1SKP2
SCHEMBL14290582 0.85 OPRM1 (0.55) KMT2AL3MBTL1DRD2OPRM1OPRD1
SCHEMBL9091685 0.85 OPRM1 (0.55) KMT2AL3MBTL1DRD2OPRM1OPRD1
SCHEMBL30500906 0.83 NPFFR1 (0.50) KMT2AL3MBTL1DRD2NPFFR1NPFFR2
SCHEMBL14357537 0.81 SIGMAR1 (0.52) KMT2AL3MBTL1DRD2NPFFR1NPFFR2
SCHEMBL17155200 0.81 KMT2A (0.49) KMT2AL3MBTL1DRD2NPFFR1NPFFR2
SCHEMBL6176499 0.80 KMT2A (0.47) KMT2AL3MBTL1CKS1BSKP1SKP2
SCHEMBL15722751 0.80 SIGMAR1 (0.51) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1
SCHEMBL6176496 0.80 KMT2A (0.47) KMT2AL3MBTL1CKS1BSKP1SKP2
SCHEMBL31048352 0.79 KMT2A (0.47) KMT2AL3MBTL1NPFFR1NPFFR2OPRM1

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
EP-1399160-A4 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO INC (US) 2004-08-25 EP disclosed
EP-1399160-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES Merck & Co., Inc. (US) 2004-03-24 EP disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO disclosed