SCHEMBL3396967

SCHEMBL3396967

COc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
HRH3 Q9Y5N1 5/20 0.46
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GALR1 P47211 1/20 0.43
HTR2C P28335 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CNR1 P21554 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 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 1.00 THRA (0.49) THRATHRBHRH3ACACBACACA
SCHEMBL3404772 0.99 THRA (0.47) THRATHRBHRH3ACACBACACA
SCHEMBL3403568 0.92 RAB9A (0.45) THRATHRBHRH3ACACBACACA
SCHEMBL3401404 0.92 THRA (0.51) THRATHRBHRH3HTR2CTLR9
SCHEMBL3404347 0.92 THRA (0.51) THRATHRBHRH3HTR2CTLR9
SCHEMBL3405828 0.91 THRA (0.50) THRATHRBHRH3MEN1KMT2A
SCHEMBL3406014 0.91 THRA (0.50) THRATHRBHRH3MEN1KMT2A
SCHEMBL3399934 0.90 THRA (0.52) THRATHRBHRH3MEN1KMT2A
SCHEMBL3400277 0.90 THRA (0.52) THRATHRBHRH3MEN1KMT2A
SCHEMBL3402620 0.89 THRA (0.52) THRATHRBHRH3ACACBACACA

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