SCHEMBL3399682

SCHEMBL3399682

COc1ccc(OC)c(-c2nc(C)c(C(=O)NCCCCN3CCCC3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
DRD3 P35462 5/20 0.49
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
SMYD2 Q9NRG4 3/20 0.46
DRD4 P21917 4/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.44
HTR3A P46098 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3404939 0.93 HDAC3 (0.49) DRD2DRD3HTR1AHTR2ASMYD2
SCHEMBL3403050 0.93 TMEM97 (0.49) DRD2DRD3SMYD2DRD4MAPT
SCHEMBL3404517 0.91 F10 (0.47) DRD2DRD3SMYD2DRD4HTR3A
SCHEMBL3402585 0.91 DRD2 (0.47) DRD2DRD3HTR1AHTR2ASMYD2
SCHEMBL3402102 0.90 DRD2 (0.46) DRD2DRD3HTR1AHTR2ASMYD2
SCHEMBL3405123 0.89 HTR3A (0.55) DRD2DRD3HTR1AHTR2ASMYD2
SCHEMBL3399769 0.87 DRD2 (0.48) DRD2DRD3SMYD2DRD4HTR3A
SCHEMBL3401183 0.86 MAPT (0.49) DRD2DRD3HTR1AHTR2ASMYD2
SCHEMBL13071564 0.86 DRD2 (0.47) DRD2DRD3SMYD2DRD4HTR3A
SCHEMBL3404897 0.85 ACHE (0.54) DRD3SMYD2MAPTTHRBTP53

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