SCHEMBL3401121

SCHEMBL3401121

CCCOc1ccc(-c2nc(C)c(C(=O)NCCCCN3CCCC3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.47
ACHE P22303 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
MAPT P10636 5/20 0.46
KCNH2 Q12809 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
CHRM4 P08173 2/20 0.45
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.43
HRH4 Q9H3N8 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
SCHEMBL3406028 0.94 GLA (0.50) AGERHRH3MAPTALDH1A1NPC1
SCHEMBL3404897 0.89 ACHE (0.54) ACHEMAPTALDH1A1CHRM4TP53
SCHEMBL3399687 0.87 CHRM4 (0.52) ACHEHRH3MAPTALDH1A1NPC1
SCHEMBL3405206 0.86 GLA (0.60) MAPTALDH1A1NPC1HPGDCHRM4
SCHEMBL3403571 0.85 PPARA (0.58) ALDH1A1NPC1CHRM4
SCHEMBL3398627 0.85 CHRM4 (0.60) HRH3MAPTKDM4EALDH1A1NPC1
SCHEMBL3404512 0.85 HRH3 (0.62) HRH3KDM4ENPC1CHRM4THRB
SCHEMBL3399330 0.84 KCNH2 (0.51) HRH3MAPTKCNH2NPC1HPGD
SCHEMBL3401183 0.84 MAPT (0.49) ACHEMAPTKDM4EALDH1A1THRB
SCHEMBL3400105 0.84 HRH3 (0.53) HRH3NPC1HPGDCHRM4

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