SCHEMBL3404844

SCHEMBL3404844

CCN(CC)C1CCN(Cc2cn(CC)c(-c3cccc4ccccc34)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
SLC6A4 P31645 2/20 0.35
DRD2 P14416 1/20 0.35
NSD2 O96028 1/20 0.35
HTR7 P34969 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TSHR P16473 1/20 0.34
HTR2C P28335 1/20 0.34
POLR1A O95602 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DRD4 P21917 3/20 0.33
LMNA P02545 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL3396799 0.94 ACHE (0.40) ACHESLC6A4DRD2HTR7SLC6A2
SCHEMBL3396693 0.81 HTR7 (0.40) ACHESLC6A4DRD2HTR7SLC6A2
SCHEMBL3399762 0.81 KMT2A (0.45) KDM4ELMNA
SCHEMBL3396747 0.80 ALDH1A1 (0.40) ACHETSHR
SCHEMBL3399916 0.79 ALDH1A1 (0.42) ACHETSHR
SCHEMBL13310392 0.79 ALDH1A1 (0.42) ACHETSHR
SCHEMBL3404354 0.78 SIGMAR1 (0.46) ACHEKDM4EDRD4LMNA
SCHEMBL3399827 0.78 SIGMAR1 (0.43) ACHEKDM4EDRD4LMNA
SCHEMBL3402431 0.76 CCND1 (0.40) ACHEKDM4ELMNA
SCHEMBL3405131 0.76 TLR8 (0.43) SLC6A4DRD2SLC6A2SLC6A3TSHR

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