SCHEMBL3402091

SCHEMBL3402091

CCc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
CNR1 P21554 1/20 0.50
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
HTR2C P28335 3/20 0.47
L3MBTL3 Q96JM7 6/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
OXTR P30559 1/20 0.47
LMNA P02545 1/20 0.46
MBTD1 Q05BQ5 4/20 0.46
CYP2D6 P10635 1/20 0.46
MCHR1 Q99705 1/20 0.46
CES2 O00748 1/20 0.45

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
SCHEMBL13309726 1.00 HRH3 (0.51) HRH3CNR1THRATHRBHTR2C
SCHEMBL13071723 0.92 HRH3 (0.49) HRH3CNR1THRATHRBHTR2C
SCHEMBL3399901 0.92 HRH3 (0.49) HRH3CNR1THRATHRBHTR2C
SCHEMBL3404803 0.91 CNR1 (0.49) HRH3CNR1THRATHRBHTR2C
SCHEMBL3403938 0.91 CNR1 (0.51) HRH3CNR1THRATHRBHTR2C
SCHEMBL13071719 0.90 HRH3 (0.53) HRH3CNR1THRATHRBHTR2C
SCHEMBL3398438 0.90 HRH3 (0.53) HRH3CNR1THRATHRBHTR2C
SCHEMBL3401712 0.90 HRH3 (0.48) HRH3CNR1THRATHRBHTR2C
SCHEMBL13309722 0.90 HRH3 (0.48) HRH3CNR1THRATHRBHTR2C
SCHEMBL3396686 0.89 CNR1 (0.51) HRH3CNR1THRATHRBHTR2C

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