SCHEMBL6255157

SCHEMBL6255157

CC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)CCc2cccc(F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.45
ACACB O00763 6/20 0.45
EEF2K O00418 1/20 0.44
DRD2 P14416 2/20 0.43
KMT2A Q03164 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
NPY5R Q15761 1/20 0.42
ACACA Q13085 3/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5352632 0.88 LMNA (0.48) ACACBDRD2KMT2ACKS1BSKP1
SCHEMBL18766914 0.81 EEF2K (0.46) GPR119ACACBEEF2KDRD2CKS1B
SCHEMBL18766917 0.81 KMT2A (0.55) GPR119ACACBEEF2KDRD2KMT2A
SCHEMBL4554072 0.80 MAPT (0.58) ACACBDRD2CKS1BSKP1SKP2
SCHEMBL17718110 0.77 CKS1B (0.48) ACACBDRD2KMT2ACKS1BSKP1
SCHEMBL7137625 0.77 ALDH1A1 (0.57) ACACBDRD2KMT2APKM
SCHEMBL5359104 0.74 KDM4E (0.48) ACACBDRD2CKS1BSKP1SKP2
SCHEMBL8217502 0.74 ALDH1A1 (0.62) ACACBDRD2KMT2ACKS1BSKP1
SCHEMBL18768436 0.74 KDM4E (0.47) GPR119ACACBEEF2KDRD2CKS1B
SCHEMBL5729170 0.73 CTSS (0.54) CTSSCTSKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390034-A4 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2005-07-13 EP disclosed
EP-1390034-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-02-25 EP disclosed
EP-1379520-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-01-14 EP disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 WO disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed