SCHEMBL3399762

SCHEMBL3399762

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL3402431 0.89 CCND1 (0.40) KMT2AMEN1LMNAKDM4E
SCHEMBL3405131 0.89 TLR8 (0.43) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL3404020 0.87 LMNA (0.38) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL3405179 0.87 LMNA (0.38) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL3404354 0.86 SIGMAR1 (0.46) LMNAALDH1A1KDM4ETMEM97SIGMAR1
SCHEMBL3403623 0.86 TLR8 (0.41) LMNATDP1
SCHEMBL3399827 0.86 SIGMAR1 (0.43) LMNAALDH1A1KDM4ETMEM97SIGMAR1
SCHEMBL3402966 0.85 MEN1 (0.39) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL3396799 0.85 ACHE (0.40) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL3402347 0.85 LMNA (0.36) KMT2AMEN1LMNAALDH1A1KDM4E

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