SCHEMBL3401587

SCHEMBL3401587

Cc1cc(C)c(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
HTR2C P28335 3/20 0.47
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
LMNA P02545 1/20 0.46
MBTD1 Q05BQ5 4/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CNR1 P21554 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
SCHEMBL3405558 1.00 L3MBTL3 (0.51) L3MBTL3L3MBTL1HTR2CTHRATHRB
SCHEMBL3399406 0.90 ALDH1A1 (0.47) L3MBTL3L3MBTL1HTR2CTHRATHRB
SCHEMBL3404094 0.90 THRA (0.49) L3MBTL3L3MBTL1HTR2CTHRATHRB
SCHEMBL3404149 0.90 THRA (0.49) L3MBTL3L3MBTL1HTR2CTHRATHRB
SCHEMBL3402125 0.89 HTR2C (0.54) L3MBTL3L3MBTL1HTR2CLMNAMBTD1
SCHEMBL3403891 0.89 HTR2C (0.54) L3MBTL3L3MBTL1HTR2CLMNAMBTD1
SCHEMBL3399936 0.86 HRH3 (0.53) L3MBTL3L3MBTL1HTR2CTHRATHRB
SCHEMBL3401839 0.86 HRH3 (0.53) L3MBTL3L3MBTL1HTR2CTHRATHRB
SCHEMBL3398438 0.86 HRH3 (0.53) L3MBTL3L3MBTL1HTR2CTHRATHRB
SCHEMBL13071719 0.86 HRH3 (0.53) L3MBTL3L3MBTL1HTR2CTHRATHRB

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 5 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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed