SCHEMBL3406015

SCHEMBL3406015

CCOc1ccccc1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.55
CES2 O00748 1/20 0.49
HRH3 Q9Y5N1 2/20 0.46
LMNA P02545 1/20 0.44
L3MBTL3 Q96JM7 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TP53BP1 Q12888 1/20 0.43
CNR1 P21554 1/20 0.43
BRD4 O60885 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPK7 Q13164 1/20 0.43
OXTR P30559 1/20 0.42
SMYD2 Q9NRG4 1/20 0.42

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
SCHEMBL13310360 1.00 HTR2C (0.55) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL3401809 0.90 HTR2C (0.58) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL13072189 0.90 HTR2C (0.58) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL13310364 0.87 HTR2C (0.55) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL3402166 0.87 HTR2C (0.55) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL3399432 0.87 HTR2C (0.59) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL13309969 0.87 HTR2C (0.59) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL3399560 0.85 HTR2C (0.62) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL13071662 0.85 HTR2C (0.62) HTR2CCES2HRH3LMNAL3MBTL3
SCHEMBL3404356 0.84 HTR2C (0.61) HTR2CCES2HRH3LMNAL3MBTL3

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