SCHEMBL3404970

SCHEMBL3404970

CCN(CC)CCN(C)C(=O)c1sc(-c2cc(F)ccc2C)nc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARA Q07869 1/20 0.35
PARP1 P09874 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL3401198 0.92 HTR2C (0.47) HTR2CLMNAALDH1A1NPSR1TRPM8
SCHEMBL3400428 0.89 LMNA (0.39) HTR2CLMNAALDH1A1NPSR1TRPM8
SCHEMBL3402113 0.89 HTR2C (0.47) HTR2CLMNAALDH1A1NPSR1TRPM8
SCHEMBL3402386 0.89 HTR2C (0.49) HTR2CLMNAALDH1A1NPSR1TRPM8
SCHEMBL3400942 0.85 HTR2C (0.49) HTR2CALDH1A1TRPM8MEN1KMT2A
SCHEMBL3404998 0.83 HTR2C (0.47) HTR2CALDH1A1TRPM8MEN1KMT2A
SCHEMBL3399563 0.82 HTR2C (0.43) HTR2CALDH1A1TRPM8MEN1KMT2A
SCHEMBL13071984 0.82 HTR2C (0.40) HTR2CALDH1A1TRPM8L3MBTL1RAB9A
SCHEMBL3403609 0.82 HTR2C (0.62) HTR2CLMNAALDH1A1TRPM8RAB9A
SCHEMBL3400771 0.81 HTR2C (0.45) HTR2CALDH1A1TRPM8MEN1KMT2A

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