SCHEMBL3405224

SCHEMBL3405224

CCn1c(-c2cccc3ccccc23)nc(C)c1C(=O)N1CCC(N2CCCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.57
LMNA P02545 1/20 0.48
L3MBTL3 Q96JM7 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
TP53BP1 Q12888 2/20 0.47
MBTD1 Q05BQ5 2/20 0.47
ACACB O00763 3/20 0.45
ACACA Q13085 3/20 0.45
SMYD2 Q9NRG4 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL3402692 1.00 HTR2C (0.57) HTR2CLMNAL3MBTL3L3MBTL1TP53BP1
SCHEMBL3401043 0.91 HTR2C (0.56) HTR2CLMNAACACBACACAKDM4E
SCHEMBL3405387 0.91 HTR2C (0.56) HTR2CLMNAACACBACACAKDM4E
SCHEMBL3404857 0.84 HTR2C (0.59) HTR2C
SCHEMBL3402695 0.84 HTR2C (0.56) HTR2CLMNAACACBACACAKDM4E
SCHEMBL3402590 0.83 HTR2C (0.56) HTR2CLMNAKDM4EMEN1ALDH1A1
SCHEMBL3405408 0.82 HTR2C (0.47) HTR2CLMNAL3MBTL1ACACBACACA
SCHEMBL3405696 0.82 HTR2C (0.59) HTR2CLMNAACACBACACAKDM4E
SCHEMBL3398807 0.82 HTR2C (0.56) HTR2CLMNAACACBACACAKDM4E
SCHEMBL3402170 0.82 HTR2C (0.47) HTR2CLMNAACACBACACAKDM4E

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