SCHEMBL3404136

SCHEMBL3404136

Cc1nc(-c2cccc(F)c2F)sc1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CES2 O00748 1/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL3 Q96JM7 6/20 0.45
HRH3 Q9Y5N1 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
MBTD1 Q05BQ5 3/20 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
SCHEMBL3398715 1.00 HTR2C (0.58) HTR2CMEN1KMT2ACES2L3MBTL1
SCHEMBL3404356 0.93 HTR2C (0.61) HTR2CMEN1KMT2ACES2L3MBTL1
SCHEMBL3405379 0.91 HTR2C (0.53) HTR2CMEN1KMT2ACES2KDM4E
SCHEMBL3406023 0.89 MEN1 (0.54) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3405381 0.86 HTR2C (0.60) HTR2CCES2L3MBTL1L3MBTL3HRH3
SCHEMBL3400898 0.86 HTR2C (0.60) HTR2CCES2L3MBTL1L3MBTL3HRH3
SCHEMBL3399560 0.86 HTR2C (0.62) HTR2CCES2L3MBTL1L3MBTL3HRH3
SCHEMBL13071662 0.86 HTR2C (0.62) HTR2CCES2L3MBTL1L3MBTL3HRH3
SCHEMBL3403900 0.85 HTR2C (0.80) HTR2CCES2L3MBTL1L3MBTL3HRH3
SCHEMBL13071647 0.85 HTR2C (0.80) HTR2CCES2L3MBTL1L3MBTL3HRH3

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