SCHEMBL3401060

SCHEMBL3401060

COc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.48
HRH3 Q9Y5N1 5/20 0.44
L3MBTL3 Q96JM7 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MBTD1 Q05BQ5 3/20 0.42
CES2 O00748 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3399981 1.00 HTR2C (0.48) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL13072012 0.93 HTR2C (0.47) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL13072014 0.93 HTR2C (0.47) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3400850 0.91 HTR2C (0.45) HTR2CHRH3ALDH1A1HPGD
SCHEMBL3405147 0.87 MEN1 (0.49) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3405416 0.87 HTR2C (0.48) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3399875 0.87 HTR2C (0.48) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3401211 0.87 MEN1 (0.49) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3402452 0.87 HTR2C (0.48) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL13072189 0.87 HTR2C (0.58) HTR2CHRH3L3MBTL3L3MBTL1CES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed