SCHEMBL3401183

SCHEMBL3401183

COc1ccc2cc(-c3nc(C)c(C(=O)NCCCCN4CCCC4)s3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
DRD3 P35462 5/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ACHE P22303 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMYD2 Q9NRG4 1/20 0.47
HTR2C P28335 2/20 0.45
POLB P06746 1/20 0.45
PPARA Q07869 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD2 P14416 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 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
SCHEMBL3398394 0.93 KDM4E (0.54) MAPTTHRBKDM4EACHEPOLB
SCHEMBL3399700 0.93 KDM4E (0.56) MAPTTHRBKDM4EACHEPOLB
SCHEMBL3404897 0.92 ACHE (0.54) MAPTTHRBDRD3ACHEGAA
SCHEMBL3403357 0.91 DRD3 (0.49) DRD3HTR1AHTR2AGAASMYD2
SCHEMBL3402142 0.86 CD274 (0.48) MAPTTHRBDRD3HTR1AHTR2A
SCHEMBL3404939 0.86 HDAC3 (0.49) MAPTTHRBDRD3HTR1AHTR2A
SCHEMBL3399682 0.86 DRD2 (0.49) MAPTTHRBDRD3HTR1AHTR2A
SCHEMBL3399687 0.86 CHRM4 (0.52) MAPTACHEGAASMYD2PPARA
SCHEMBL3398904 0.85 POLB (0.60) MAPTTHRBKDM4EACHEPOLB
SCHEMBL3405465 0.85 CHRM4 (0.47) MAPTKDM4EGAAPOLBDRD2

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