SCHEMBL3403891

SCHEMBL3403891

Cc1cccc(C)c1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.54
HRH3 Q9Y5N1 2/20 0.49
L3MBTL3 Q96JM7 10/20 0.49
L3MBTL1 Q9Y468 9/20 0.49
MBTD1 Q05BQ5 4/20 0.48
LMNA P02545 1/20 0.48
TP53BP1 Q12888 2/20 0.47
CNR1 P21554 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.46

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
SCHEMBL3402125 1.00 HTR2C (0.54) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3405777 0.90 HTR2C (0.50) HTR2CL3MBTL3L3MBTL1LMNACNR1
SCHEMBL3406023 0.89 MEN1 (0.54) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3405558 0.89 L3MBTL3 (0.51) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3401587 0.89 L3MBTL3 (0.51) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3405381 0.89 HTR2C (0.60) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3400898 0.89 HTR2C (0.60) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL13071662 0.88 HTR2C (0.62) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3399560 0.88 HTR2C (0.62) HTR2CHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3405636 0.88 HTR2C (0.51) HTR2CHRH3L3MBTL3L3MBTL1MBTD1

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