SCHEMBL3398731

SCHEMBL3398731

C=CCN1CCN(Cc2cn(CC)c(-c3cccc4ccccc34)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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 0.88 KMT2A (0.45) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL3400798 0.84 MEN1 (0.35) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL3405131 0.83 TLR8 (0.43) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL3402431 0.83 CCND1 (0.40) LMNAMEN1KMT2AKDM4E
SCHEMBL3405179 0.81 LMNA (0.38) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL3404020 0.81 LMNA (0.38) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL3404354 0.81 SIGMAR1 (0.46) LMNAALDH1A1KDM4E
SCHEMBL3399827 0.81 SIGMAR1 (0.43) LMNAALDH1A1KDM4E
SCHEMBL3403623 0.81 TLR8 (0.41) LMNA
SCHEMBL3402966 0.80 MEN1 (0.39) LMNAMEN1KMT2AALDH1A1MAPT

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