SCHEMBL4982002

SCHEMBL4982002

CC(C)(C)OC(=O)N1CCC(CCCO)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.51
FAAH O00519 1/20 0.50
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
NR1H2 P55055 1/20 0.44

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
SCHEMBL560636 0.94 GPR119 (0.55) GPR119FAAHHPGDKDM4EPKM
SCHEMBL1576008 0.90 GPR119 (0.56) GPR119FAAHHPGDKDM4EPKM
SCHEMBL23499817 0.88 GPR119 (0.57) GPR119FAAHHPGDKDM4EPKM
SCHEMBL8430037 0.88 GPR119 (0.57) GPR119FAAHHPGDKDM4EPKM
SCHEMBL2187082 0.87 GPR119 (0.49) GPR119FAAHHPGDKDM4EPKM
SCHEMBL7920172 0.87 GPR119 (0.49) GPR119FAAHHPGDKDM4EPKM
SCHEMBL23006759 0.87 GPR119 (0.49) GPR119FAAHHPGDKDM4EPKM
SCHEMBL15085741 0.86 GPR119 (0.59) GPR119FAAHHPGDKDM4EPKM
SCHEMBL310405 0.85 HPGD (0.54) GPR119FAAHHPGDKDM4EPKM
SCHEMBL31662254 0.85 HPGD (0.54) GPR119FAAHHPGDKDM4EPKM

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-1989200-A2 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELI LILLY AND COMPANY (US) 2008-11-12 EP disclosed
WO-2007092095-A2 [4-(BENZO [B] THI0PHEN-2-YL) PYRIMIDIN-2YL] -AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES. ELI LILLY AND COMPANY (US) 2007-08-16 WO disclosed