SCHEMBL3404901

SCHEMBL3404901

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.58
SCN2A Q99250 1/20 0.58
SCN10A Q9Y5Y9 1/20 0.58
CNR1 P21554 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
HRH3 Q9Y5N1 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
OXTR P30559 1/20 0.43
HTR2C P28335 5/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL3405561 0.91 ALDH1A1 (0.53) SCN5ASCN2ASCN10ACNR1ALDH1A1
SCHEMBL3401021 0.91 THRA (0.51) SCN5ASCN2ASCN10ACNR1THRA
SCHEMBL3401370 0.91 THRA (0.51) SCN5ASCN2ASCN10ACNR1THRA
SCHEMBL3403718 0.89 CNR1 (0.54) SCN5ASCN2ASCN10ACNR1ALDH1A1
SCHEMBL3398825 0.87 SCN5A (0.54) SCN5ASCN2ASCN10ACNR1ALDH1A1
SCHEMBL3400395 0.87 CNR1 (0.52) CNR1ALDH1A1HPGDTHRATHRB
SCHEMBL3400921 0.87 CNR1 (0.66) CNR1ALDH1A1HPGDHRH3SMN1; SMN2
SCHEMBL3401857 0.86 CNR1 (0.51) CNR1ALDH1A1HPGDTHRATHRB
SCHEMBL3405508 0.86 HRH3 (0.55) CNR1ALDH1A1HPGDTHRATHRB
SCHEMBL3403938 0.86 CNR1 (0.51) SCN5ASCN2ASCN10ACNR1ALDH1A1

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 3 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