SCHEMBL3405098

SCHEMBL3405098

Cc1ccc(C)c(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.52
L3MBTL3 Q96JM7 7/20 0.48
L3MBTL1 Q9Y468 6/20 0.48
LMNA P02545 1/20 0.46
MBTD1 Q05BQ5 4/20 0.45
SMYD2 Q9NRG4 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CES2 O00748 1/20 0.44
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43

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
SCHEMBL3402596 1.00 HTR2C (0.52) HTR2CL3MBTL3L3MBTL1LMNAMBTD1
SCHEMBL14546034 0.91 HTR2C (0.51) HTR2CL3MBTL3L3MBTL1LMNAMBTD1
SCHEMBL3402305 0.91 HTR2C (0.48) HTR2CL3MBTL3L3MBTL1LMNATHRA
SCHEMBL3402415 0.90 HTR2C (0.50) HTR2CL3MBTL3L3MBTL1LMNAMBTD1
SCHEMBL3405642 0.90 HTR2C (0.50) HTR2CL3MBTL3L3MBTL1LMNAMBTD1
SCHEMBL3404219 0.89 HTR2C (0.52) HTR2CL3MBTL3L3MBTL1LMNAMBTD1
SCHEMBL3403634 0.89 HTR2C (0.52) HTR2CL3MBTL3L3MBTL1LMNAMBTD1
SCHEMBL3405416 0.88 HTR2C (0.48) HTR2CL3MBTL3L3MBTL1LMNAMBTD1
SCHEMBL3399875 0.88 HTR2C (0.48) HTR2CL3MBTL3L3MBTL1LMNAMBTD1
SCHEMBL3401249 0.88 HTR2C (0.50) HTR2CL3MBTL3L3MBTL1LMNAMBTD1

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