SCHEMBL3399752

SCHEMBL3399752

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(OC)c(C)c2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41
XDH P47989 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TP53 P04637 5/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
CHRM1 P11229 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL3405734 0.93 PPARD (0.46) HTR2CPPARAPPARDRXFP1MAPT
SCHEMBL3404884 0.90 HTR2C (0.43) HTR2CPPARAPPARDXDHMAPT
SCHEMBL3400771 0.88 HTR2C (0.45) HTR2CPPARAMAPTTRPM8POLB
SCHEMBL3405160 0.87 HTR2C (0.45) HTR2CPPARAPPARDMAPTLMNA
SCHEMBL13071536 0.86 HTR2C (0.43) HTR2CPPARAMAPTTRPM8POLB
SCHEMBL3405451 0.85 HTR2C (0.43) HTR2CPPARAPPARDMAPTLMNA
SCHEMBL3404121 0.85 PPARA (0.48) HTR2CPPARAMAPTLMNATRPM8
SCHEMBL3404127 0.84 HTR2C (0.49) HTR2CMAPTLMNATRPM8TP53
SCHEMBL3404554 0.83 HTR2C (0.44) HTR2CPPARAMAPTTRPM8POLB
SCHEMBL3402536 0.83 HTR2C (0.52) HTR2CMAPTLMNATRPM8RAD52

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