SCHEMBL3399424

SCHEMBL3399424

CCN(CC)CCN(C)C(=O)c1sc(-c2c(F)cccc2F)nc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARA Q07869 1/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13072009 0.88 HTR2C (0.52) HTR2CMEN1KMT2ATRPM8HDAC4
SCHEMBL3405494 0.88 HTR2C (0.55) HTR2CMEN1KMT2ATRPM8HDAC4
SCHEMBL3401433 0.86 HTR2C (0.41) HTR2CMEN1KMT2ATRPM8HDAC4
SCHEMBL3402536 0.85 HTR2C (0.52) HTR2CMEN1KMT2ATRPM8NPC1
SCHEMBL3404554 0.83 HTR2C (0.44) HTR2CMEN1KMT2ATRPM8HDAC4
SCHEMBL3396821 0.81 HTR2C (0.44) HTR2CMEN1KMT2ATRPM8PPARA
SCHEMBL3404998 0.81 HTR2C (0.47) HTR2CMEN1KMT2ATRPM8HDAC4
SCHEMBL3402113 0.81 HTR2C (0.47) HTR2CMEN1KMT2ATRPM8HDAC4
SCHEMBL3398602 0.81 HTR2C (0.57) HTR2CMEN1KMT2ATRPM8PARP1
SCHEMBL3399741 0.81 TRPM8 (0.50) HTR2CMEN1KMT2ATRPM8NPC1

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 5 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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed