SCHEMBL3401211

SCHEMBL3401211

COc1ccc(OC)c(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2C P28335 4/20 0.48
HRH3 Q9Y5N1 4/20 0.45
L3MBTL3 Q96JM7 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
MBTD1 Q05BQ5 1/20 0.42

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
SCHEMBL3405147 1.00 MEN1 (0.49) MEN1KMT2AHTR2CHRH3L3MBTL3
SCHEMBL3402452 0.93 HTR2C (0.48) MEN1KMT2AHTR2CHRH3L3MBTL3
SCHEMBL3399875 0.93 HTR2C (0.48) MEN1KMT2AHTR2CHRH3L3MBTL3
SCHEMBL3405416 0.93 HTR2C (0.48) MEN1KMT2AHTR2CHRH3L3MBTL3
SCHEMBL3402627 0.91 RAB9A (0.50) KMT2AHTR2CALDH1A1HPGD
SCHEMBL3401600 0.91 HRH3 (0.48) MEN1KMT2AHTR2CHRH3L3MBTL3
SCHEMBL3400956 0.91 HTR2C (0.47) MEN1KMT2AHTR2CHRH3L3MBTL3
SCHEMBL3396702 0.91 HTR2C (0.47) MEN1KMT2AHTR2CHRH3L3MBTL3
SCHEMBL3405106 0.91 HRH3 (0.48) MEN1KMT2AHTR2CHRH3L3MBTL3
SCHEMBL3400938 0.90 HTR2C (0.49) MEN1KMT2AHTR2CHRH3L3MBTL3

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