SCHEMBL3401263

SCHEMBL3401263

CCN(CC)CCN(C)C(=O)c1sc(-c2ccccc2Cl)nc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.57
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 1/20 0.56
TRPM8 Q7Z2W7 2/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CRHR1 P34998 2/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE2A O00408 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3405498 0.91 HTR2C (0.55) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3399658 0.88 HTR2C (0.58) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL13071981 0.87 MAPT (0.52) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3405318 0.87 HTR2C (0.47) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3405420 0.86 HTR2C (0.78) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3402422 0.85 HTR2C (0.55) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3401487 0.85 HTR2C (0.55) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3398602 0.84 HTR2C (0.57) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3402273 0.84 HTR2C (0.54) HTR2CALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3403609 0.83 HTR2C (0.62) HTR2CALDH1A1NPC1MAPTSMN1; SMN2

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