SCHEMBL3398412

SCHEMBL3398412

CCn1cc(CN(C)CCCN(C)C)nc1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKCG P05129 1/20 0.40
GSK3B P49841 1/20 0.40
HTR1B P28222 3/20 0.39
SLC6A4 P31645 1/20 0.38
TLR8 Q9NR97 1/20 0.37
RAD52 P43351 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3399762 0.76 KMT2A (0.45) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL3399414 0.74 KDM4E (0.41) TLR8ALDH1A1LMNAKMT2AKDM4E
SCHEMBL3405131 0.71 TLR8 (0.43) SLC6A4TLR8LMNAMEN1KMT2A
SCHEMBL3402431 0.69 CCND1 (0.40) LMNAMEN1KMT2AKDM4E
SCHEMBL3403623 0.69 TLR8 (0.41) SLC6A4TLR8LMNAHTR6CNR2
SCHEMBL3404326 0.69 TLR8 (0.39) TLR8ALDH1A1MAPTMEN1KMT2A
SCHEMBL3396799 0.68 ACHE (0.40) SLC6A4ALDH1A1LMNAMEN1KMT2A
SCHEMBL3404020 0.68 LMNA (0.38) TLR8ALDH1A1LMNAMAPTMAPK1
SCHEMBL3405179 0.68 LMNA (0.38) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL3396747 0.67 ALDH1A1 (0.40) ALDH1A1

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