SCHEMBL3403442

SCHEMBL3403442

CCCCN1CCCN(C(=O)c2sc(-c3cc(C)ccc3OC)nc2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
CES2 O00748 1/20 0.42
SLC29A1 Q99808 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
DRD3 P35462 2/20 0.37
DRD2 P14416 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL13310335 0.93 HTR2C (0.43) HTR2CCES2SLC29A1MEN1KMT2A
SCHEMBL3406091 0.91 HTR2C (0.42) HTR2CCES2SLC29A1ALDH1A1KDM4E
SCHEMBL3404766 0.91 HTR2C (0.42) HTR2CCES2SLC29A1MEN1KMT2A
SCHEMBL3405156 0.90 HTR2C (0.41) HTR2CCES2SLC29A1MEN1KMT2A
SCHEMBL3400099 0.89 HTR2C (0.46) HTR2CCES2ALDH1A1L3MBTL1KDM4E
SCHEMBL3405924 0.88 HTR2C (0.45) HTR2CCES2ALDH1A1POLBCNR1
SCHEMBL3400265 0.87 HTR2C (0.46) HTR2CCES2MEN1KMT2ANPC1
SCHEMBL3398386 0.86 THRA (0.43) HTR2CCES2SLC29A1MEN1KMT2A
SCHEMBL3401076 0.86 HTR2C (0.45) HTR2CCES2POLBCNR1
SCHEMBL3403866 0.85 HTR2C (0.41) HTR2CCES2SLC29A1MEN1KMT2A

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