SCHEMBL3405381

SCHEMBL3405381

Cc1cccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)c1C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.60
HRH3 Q9Y5N1 3/20 0.47
SMYD2 Q9NRG4 1/20 0.47
CES2 O00748 1/20 0.46
L3MBTL3 Q96JM7 7/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
LMNA P02545 1/20 0.46
MBTD1 Q05BQ5 3/20 0.45
TP53BP1 Q12888 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
SCHEMBL3400898 1.00 HTR2C (0.60) HTR2CHRH3SMYD2CES2L3MBTL3
SCHEMBL13071662 0.92 HTR2C (0.62) HTR2CHRH3SMYD2CES2L3MBTL3
SCHEMBL3399560 0.92 HTR2C (0.62) HTR2CHRH3SMYD2CES2L3MBTL3
SCHEMBL3400254 0.91 HTR2C (0.55) HTR2CCES2L3MBTL1LMNA
SCHEMBL3402125 0.89 HTR2C (0.54) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3403891 0.89 HTR2C (0.54) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3403900 0.87 HTR2C (0.80) HTR2CHRH3SMYD2CES2L3MBTL3
SCHEMBL13071647 0.87 HTR2C (0.80) HTR2CHRH3SMYD2CES2L3MBTL3
SCHEMBL3404356 0.87 HTR2C (0.61) HTR2CHRH3CES2L3MBTL3L3MBTL1
SCHEMBL13071740 0.87 HTR2C (0.61) HTR2CHRH3CES2L3MBTL3L3MBTL1

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