SCHEMBL4046093

SCHEMBL4046093

C#CC1CCN(OC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
CTSK P43235 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
EPHX1 P07099 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27527152 0.85 HRH3 (0.32) HRH3HPGDHSD17B10
SCHEMBL212033 0.80 CHRM2 (0.42) HRH3HPGDHSD17B10RECQLCTSK
SCHEMBL373788 0.79 SMN1; SMN2 (0.43) HRH3HPGDHSD17B10RECQLMEN1
SCHEMBL3758975 0.78
SCHEMBL1935995 0.78 CHRM2 (0.34) HRH3HPGDRECQLCTSKMAPT
SCHEMBL5162823 0.77 KDM2B (0.35) HPGDCTSKMEN1ALDH1A1MAPT
SCHEMBL427670 0.77 HPGD (0.58) HPGDHSD17B10RECQLMEN1ALDH1A1
SCHEMBL1550155 0.76 HPGD (0.37) HRH3HPGDHSD17B10RECQLMEN1
SCHEMBL2326335 0.75 EPHX1 (0.40) HPGDRECQLCTSKALDH1A1MAPT
SCHEMBL1133757 0.75 NR1H2 (0.43) HPGDRECQLCTSKALDH1A1KMT2A

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-2018385-B1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed
EP-2018385-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007115929-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed