SCHEMBL3828577

SCHEMBL3828577

COC(=O)C(N)Cn1ccc2cc(OC)ccc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.67
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
HDAC6 Q9UBN7 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC11 Q96DB2 1/20 0.49
PRMT5 O14744 5/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HTR2A P28223 4/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 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
SCHEMBL4043277 1.00 HTR2C (0.67) HTR2CMTNR1AMTNR1BHDAC6HDAC8
SCHEMBL11033586 0.88 HTR2C (0.68) HTR2CMTNR1AMTNR1BHDAC6HDAC8
SCHEMBL3951049 0.86 HTR2C (0.63) HTR2CHDAC6HDAC8HDAC11PRMT5
SCHEMBL3951044 0.86 HTR2C (0.63) HTR2CHDAC6HDAC8HDAC11PRMT5
SCHEMBL29162348 0.77 HTR2C (0.73) HTR2CMTNR1AMTNR1BHDAC6HDAC8
SCHEMBL30839291 0.77 HTR2C (0.73) HTR2CMTNR1AMTNR1BHDAC6HDAC8
SCHEMBL25521336 0.77 HTR2C (0.73) HTR2CMTNR1AMTNR1BHDAC6HDAC8
SCHEMBL22930056 0.77 HTR2C (0.77) HTR2CMTNR1AMTNR1BHDAC6HDAC8
SCHEMBL767962 0.77 HTR2C (0.68) HTR2CMTNR1AMTNR1BHDAC6HDAC8
SCHEMBL767963 0.77 HTR2C (0.68) HTR2CMTNR1AMTNR1BHDAC6HDAC8

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-2268640-B1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE INDOLOPYRIDINES 4SC AG (DE) 2016-10-12 EP disclosed
EP-2098524-A1 Process for preparing enantiomerically pure indolopyrinidines 4SC AG (DE) 2009-09-09 EP disclosed
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 EP disclosed