SCHEMBL3402402

SCHEMBL3402402

Cc1nc(-c2cccc3c2oc2ccccc23)sc1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.60
LMNA P02545 2/20 0.53
CES2 O00748 1/20 0.47
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
TP53BP1 Q12888 1/20 0.43
CNR1 P21554 1/20 0.43
OXTR P30559 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SMYD2 Q9NRG4 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3403316 1.00 HTR2C (0.60) HTR2CLMNACES2TP53SMN1; SMN2
SCHEMBL3399581 0.92 HTR2C (0.56) HTR2CLMNACES2SMN1; SMN2L3MBTL1
SCHEMBL3403900 0.86 HTR2C (0.80) HTR2CLMNACES2L3MBTL3L3MBTL1
SCHEMBL13071647 0.86 HTR2C (0.80) HTR2CLMNACES2L3MBTL3L3MBTL1
SCHEMBL3400477 0.83 HTR2C (0.56) HTR2CCES2CNR1OXTR
SCHEMBL13071662 0.83 HTR2C (0.62) HTR2CLMNACES2L3MBTL3L3MBTL1
SCHEMBL3399560 0.83 HTR2C (0.62) HTR2CLMNACES2L3MBTL3L3MBTL1
SCHEMBL3399588 0.82 HTR2C (0.64) HTR2CLMNACES2L3MBTL3L3MBTL1
SCHEMBL3404751 0.82 HTR2C (0.64) HTR2CLMNACES2L3MBTL3L3MBTL1
SCHEMBL3404356 0.82 HTR2C (0.61) HTR2CLMNACES2L3MBTL3L3MBTL1

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