SCHEMBL3402585

SCHEMBL3402585

COc1ccc(F)cc1-c1nc(C)c(C(=O)NCCCCN2CCCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.47
DRD3 P35462 10/20 0.47
DRD4 P21917 7/20 0.47
SMYD2 Q9NRG4 2/20 0.46
HTR1A P08908 3/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
HTR3A P46098 1/20 0.45
MKNK2 Q9HBH9 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 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
SCHEMBL3399682 0.91 DRD2 (0.49) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3403050 0.91 TMEM97 (0.49) DRD2DRD3DRD4SMYD2HTR3A
SCHEMBL3404517 0.90 F10 (0.47) DRD2DRD3DRD4SMYD2ADRA1D
SCHEMBL3405123 0.89 HTR3A (0.55) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3402102 0.88 DRD2 (0.46) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3404848 0.87 RAB9A (0.45) DRD2DRD3DRD4SMYD2HTR3A
SCHEMBL3401391 0.87 DRD2 (0.44) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3396887 0.86 RAB9A (0.48) SMYD2MKNK2
SCHEMBL3402142 0.86 CD274 (0.48) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL3399769 0.86 DRD2 (0.48) DRD2DRD3DRD4SMYD2HTR3A

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