SCHEMBL3402146

SCHEMBL3402146

CCOc1ccc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
CNR1 P21554 1/20 0.50
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
LMNA P02545 2/20 0.42
HTR2C P28335 1/20 0.42
HPGD P15428 3/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 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
SCHEMBL3402560 0.92 HRH3 (0.54) TARBP2HRH3CNR1GAAALDH1A1
SCHEMBL3405357 0.89 CNR1 (0.54) TARBP2HRH3CNR1GAAALDH1A1
SCHEMBL3401619 0.88 CNR1 (0.53) TARBP2HRH3CNR1GAAALDH1A1
SCHEMBL3403913 0.88 CNR1 (0.49) HRH3CNR1HTTALDH1A1HSD17B10
SCHEMBL3398840 0.87 CNR1 (0.54) TARBP2HRH3CNR1GAAKDM4E
SCHEMBL13071975 0.87 CDC7 (0.50) TARBP2HRH3CNR1MEN1KMT2A
SCHEMBL3405399 0.86 CNR1 (0.57) TARBP2HRH3CNR1GAAALDH1A1
SCHEMBL3399775 0.85 CNR1 (0.58) TARBP2HRH3CNR1GAAALDH1A1
SCHEMBL3405171 0.85 CNR1 (0.52) TARBP2HRH3CNR1GAAKDM4E
SCHEMBL3401410 0.84 EPHX2 (0.53) TARBP2HRH3CNR1GAAALDH1A1

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