SCHEMBL4055980

SCHEMBL4055980

CC(C)(C)OC(=O)C1CCN(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RECQL P46063 1/20 0.41
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL2475032 0.89 HRH3 (0.49) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL10274867 0.84 HRH3 (0.55) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL186721 0.83 HRH3 (0.51) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL1295721 0.83 HRH3 (0.51) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL28492122 0.83 HRH3 (0.51) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL13291479 0.82 HRH3 (0.54) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL5023573 0.82 HRH3 (0.54) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL28055168 0.82 HRH3 (0.77) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL374206 0.82 HRH3 (0.54) HRH3HPGDKMT2AMEN1ALDH1A1
SCHEMBL310852 0.81 HRH3 (0.60) HRH3HPGDKMT2AMEN1ALDH1A1

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
CN-103717602-B Kinase inhibitors 加利福尼亚大学董事会 2016-11-09 CN disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
CN-103717602-A Kinase inhibitors UNIV CALIFORNIA 2014-04-09 CN disclosed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed