SCHEMBL3403590

SCHEMBL3403590

Cc1nc(-c2ccccc2C(F)(F)F)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.55
CNR1 P21554 1/20 0.48
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
CES2 O00748 1/20 0.43
PARP1 P09874 1/20 0.43
SLC6A7 Q99884 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EPHX2 P34913 2/20 0.40
SCD O00767 1/20 0.40
RAB9A P51151 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 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
SCHEMBL3400042 0.88 HTR2C (0.58) HTR2CCNR1CES2PARP1HRH3
SCHEMBL13309912 0.87 HTR2C (0.59) HTR2CCNR1CES2PARP1HRH3
SCHEMBL3399722 0.85 HTR2C (0.55) HTR2CCNR1PPARDPPARACES2
SCHEMBL3402963 0.85 HTR2C (0.57) HTR2CCNR1CES2PARP1HRH3
SCHEMBL3404790 0.85 HTR2C (0.57) HTR2CCNR1PPARDPPARACES2
SCHEMBL3398799 0.84 HTR2C (0.78) HTR2CCNR1CES2PARP1
SCHEMBL3404951 0.84 HTR2C (0.56) HTR2CCNR1CES2PARP1HRH3
SCHEMBL3403332 0.83 HTR2C (0.55) HTR2CCNR1CES2PARP1
SCHEMBL3402453 0.83 HTR2C (0.55) HTR2CCNR1CES2PARP1HRH3
SCHEMBL3400778 0.83 HTR2C (0.57) HTR2CCNR1CES2PARP1HRH3

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