SCHEMBL5258987

SCHEMBL5258987

CC(C)(C)OC(=O)N1CCC(n2ccc3cc(C(F)(F)F)ccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.47
MAPT P10636 2/20 0.46
GPR119 Q8TDV5 7/20 0.45
P2RY14 Q15391 1/20 0.45
HDAC4 P56524 1/20 0.44
HCAR1 Q9BXC0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
TGFBR1 P36897 1/20 0.44
PKM P14618 2/20 0.42
USP2 O75604 1/20 0.42
SYK P43405 1/20 0.42
NR3C1 P04150 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
SCHEMBL5255201 0.86 GPR119 (0.51) MAPTGPR119HCAR1KDM4ETHRB
SCHEMBL4898807 0.85 USP30 (0.50) MAPTGPR119HCAR1KDM4ETHRB
SCHEMBL5253861 0.85 STS (0.47) STSMAPTGPR119HCAR1KDM4E
SCHEMBL18788085 0.85 NR1H2 (0.47) MAPTGPR119HCAR1KDM4ETHRB
SCHEMBL17092750 0.84 KMT2A (0.46) MAPTGPR119P2RY14HDAC4HCAR1
SCHEMBL18917677 0.83 GPR119 (0.43) MAPTGPR119HCAR1KDM4ETHRB
SCHEMBL17092660 0.83 PRKAA2 (0.50)
SCHEMBL17092719 0.83 GPR119 (0.45) MAPTGPR119HDAC4HCAR1KDM4E
SCHEMBL2861894 0.83 SMN1; SMN2 (0.56) STSMAPTGPR119HCAR1PKM
SCHEMBL3159082 0.82 GPR119 (0.52) STSMAPTGPR119HCAR1KDM4E

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-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed