SCHEMBL3401804

SCHEMBL3401804

Cc1nc(-c2cccc(OC(C)C)c2)sc1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.51
HTR2C P28335 4/20 0.47
CNR1 P21554 1/20 0.47
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43

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
SCHEMBL3405822 1.00 HRH3 (0.51) HRH3HTR2CCNR1THRATHRB
SCHEMBL3400211 0.92 CNR1 (0.48) HRH3HTR2CCNR1THRATHRB
SCHEMBL3404999 0.92 HRH3 (0.58) HRH3HTR2CCNR1THRATHRB
SCHEMBL13071970 0.92 HRH3 (0.58) HRH3HTR2CCNR1THRATHRB
SCHEMBL13309670 0.88 HRH3 (0.51) HRH3HTR2CCNR1THRATHRB
SCHEMBL3399536 0.88 HRH3 (0.51) HRH3HTR2CCNR1THRATHRB
SCHEMBL13309673 0.88 HRH3 (0.50) HRH3HTR2CCNR1THRATHRB
SCHEMBL3404798 0.88 HRH3 (0.50) HRH3HTR2CCNR1THRATHRB
SCHEMBL3405789 0.87 HRH3 (0.51) HRH3HTR2CCNR1THRATHRB
SCHEMBL3401167 0.87 HRH3 (0.51) HRH3HTR2CCNR1THRATHRB

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