SCHEMBL4121106

SCHEMBL4121106

CC(C)(C)OC(=O)N1CCC(=O)C(n2ccnc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.43
GRM5 P41594 1/20 0.38
PIK3CD O00329 2/20 0.37
DTYMK P23919 1/20 0.37
ESR2 Q92731 1/20 0.37
GRM1 Q13255 1/20 0.36
USP30 Q70CQ3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL3611434 0.81 CYP19A1 (0.35)
SCHEMBL22871669 0.78 GPR119 (0.48) GPR119PIK3CDUSP30PTPN2PTPN1
SCHEMBL7397405 0.77 GPR119 (0.44) GPR119PTPN2PTPN1PTPN6NR1H2
SCHEMBL15908899 0.76 NR1H2 (0.41) GPR119USP30KDM4ENR1H2
SCHEMBL45699 0.76 NR1H2 (0.41) GPR119USP30KDM4ENR1H2
SCHEMBL950789 0.75 GPR119 (0.53) GPR119PTPN2PTPN1PTPN6
SCHEMBL3622797 0.74 POLB (0.38) GPR119GRM5PIK3CDDTYMKESR2
SCHEMBL14814889 0.74 DDB1 (0.41) GPR119DTYMKKDM4EMAPTTHRB
SCHEMBL3610705 0.74 GPR119 (0.45) GPR119PIK3CDUSP30PTPN2PTPN1
SCHEMBL27211314 0.73 GRM1 (0.44) GPR119GRM5ESR2GRM1USP30

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
CN-101558066-A Pyrrole derivatives with antibacterial activity ASTRAZENECA AB (SE) 2009-10-14 CN disclosed
EP-2064209-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2008020222-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2008-02-21 WO disclosed