SCHEMBL3404767

SCHEMBL3404767

Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.46
THRB P10828 3/20 0.46
L3MBTL3 Q96JM7 6/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
HTR2C P28335 3/20 0.44
CNR1 P21554 1/20 0.43
LMNA P02545 1/20 0.43
OXTR P30559 1/20 0.42
MBTD1 Q05BQ5 3/20 0.42

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
SCHEMBL3405005 1.00 THRA (0.46) THRATHRBL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3398944 0.91 ALDH1A1 (0.45) THRATHRBALDH1A1SMN1; SMN2HTR2C
SCHEMBL3402228 0.91 ALDH1A1 (0.59) THRATHRBL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3401794 0.90 NPC1 (0.52) THRATHRBL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3404811 0.87 HRH3 (0.51) THRATHRBL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3400894 0.87 HRH3 (0.51) THRATHRBL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3404094 0.86 THRA (0.49) THRATHRBL3MBTL3L3MBTL1HRH3
SCHEMBL3404149 0.86 THRA (0.49) THRATHRBL3MBTL3L3MBTL1HRH3
SCHEMBL3399936 0.85 HRH3 (0.53) THRATHRBL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3401839 0.85 HRH3 (0.53) THRATHRBL3MBTL3L3MBTL1ALDH1A1

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