SCHEMBL3404772

SCHEMBL3404772

COc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCC4)CC3)s2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
CNR1 P21554 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
OXTR P30559 1/20 0.42
SCD O00767 1/20 0.42
GALR1 P47211 1/20 0.42
HTR2C P28335 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 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
SCHEMBL3405541 0.99 THRA (0.49) THRATHRBACACBACACAHRH3
SCHEMBL3396967 0.99 THRA (0.49) THRATHRBACACBACACAHRH3
SCHEMBL3403568 0.93 RAB9A (0.45) THRATHRBACACBACACAHRH3
SCHEMBL3401404 0.91 THRA (0.51) THRATHRBHRH3CNR1L3MBTL3
SCHEMBL3404347 0.91 THRA (0.51) THRATHRBHRH3CNR1L3MBTL3
SCHEMBL3405828 0.90 THRA (0.50) THRATHRBHRH3CNR1L3MBTL3
SCHEMBL3406014 0.90 THRA (0.50) THRATHRBHRH3CNR1L3MBTL3
SCHEMBL3399934 0.89 THRA (0.52) THRATHRBHRH3CNR1L3MBTL3
SCHEMBL3400277 0.89 THRA (0.52) THRATHRBHRH3CNR1L3MBTL3
SCHEMBL3402620 0.88 THRA (0.52) THRATHRBACACBACACAHRH3

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