SCHEMBL3402102

SCHEMBL3402102

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.46
DRD3 P35462 7/20 0.44
DRD4 P21917 5/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMYD2 Q9NRG4 2/20 0.43
HTR1A P08908 5/20 0.43
DRD1 P21728 3/20 0.43
ADRA1D P25100 3/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
HTR2B P41595 3/20 0.43
ADRA2A P08913 4/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 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
SCHEMBL3403050 0.90 TMEM97 (0.49) DRD2DRD3DRD4SMYD2KMT2A
SCHEMBL3399682 0.90 DRD2 (0.49) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3404517 0.88 F10 (0.47) DRD2DRD3DRD4SMYD2ADRA1D
SCHEMBL3402585 0.88 DRD2 (0.47) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3405123 0.86 HTR3A (0.55) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3404939 0.84 HDAC3 (0.49) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3399769 0.84 DRD2 (0.48) DRD2DRD3DRD4SMYD2
SCHEMBL13071564 0.83 DRD2 (0.47) DRD2DRD3DRD4SMYD2
SCHEMBL3401391 0.82 DRD2 (0.44) DRD2DRD3DRD4SMYD2HTR1A
SCHEMBL3402142 0.81 CD274 (0.48) DRD2DRD3DRD4LMNAHTR1A

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 3 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