SCHEMBL3402142

SCHEMBL3402142

COc1ccc(-c2nc(C)c(C(=O)NCCCCN3CCCC3)s2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.48
DRD2 P14416 10/20 0.46
DRD3 P35462 9/20 0.46
DRD4 P21917 7/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
HTR1A P08908 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HTR3A P46098 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
LMNA P02545 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
SCHEMBL3402155 0.94 CD274 (0.55) CD274MAPTLMNA
SCHEMBL3405465 0.90 CHRM4 (0.47) DRD2MAPTHTR3ALMNA
SCHEMBL3400517 0.89 GAA (0.47) DRD2MAPTHTR3ALMNA
SCHEMBL3401053 0.88 CHRM4 (0.47) DRD2MAPTLMNA
SCHEMBL3405260 0.87 GAA (0.48) MAPTTHRBADRA1ALMNA
SCHEMBL3401391 0.87 DRD2 (0.44) DRD2DRD3DRD4HTR1AHTR3A
SCHEMBL3401183 0.86 MAPT (0.49) DRD2DRD3MAPTTHRBHTR1A
SCHEMBL3402585 0.86 DRD2 (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3403817 0.86 CHRM4 (0.49) DRD2MAPTLMNA
SCHEMBL3404897 0.85 ACHE (0.54) DRD3MAPTTHRBLMNA

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