SCHEMBL3405022

SCHEMBL3405022

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(=O)NCCCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.52
PPARD Q03181 3/20 0.52
PPARG P37231 2/20 0.52
GAA P10253 4/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRM4 P08173 3/20 0.51
NPC1 O15118 2/20 0.48
HPGD P15428 1/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 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
SCHEMBL3399440 0.91 CHRM4 (0.62) PPARAPPARDPPARGGAAMAPT
SCHEMBL3398627 0.88 CHRM4 (0.60) PPARAPPARDGAAMAPTALDH1A1
SCHEMBL3404930 0.87 CHRM4 (0.48) GAAMAPTALDH1A1SMN1; SMN2CHRM4
SCHEMBL3404897 0.86 ACHE (0.54) PPARAPPARDGAAMAPTALDH1A1
SCHEMBL3400105 0.85 HRH3 (0.53) GAACHRM4NPC1HPGDDRD3
SCHEMBL3403571 0.85 PPARA (0.58) PPARAPPARDPPARGGAAALDH1A1
SCHEMBL3399687 0.85 CHRM4 (0.52) PPARAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL3403462 0.84 CHRM4 (0.65) PPARAPPARDPPARGGAAMAPT
SCHEMBL3399330 0.84 KCNH2 (0.51) GAAMAPTSMN1; SMN2CHRM4NPC1
SCHEMBL3403357 0.83 DRD3 (0.49) GAALMNACHRM4NPC1HPGD

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