SCHEMBL3400812

SCHEMBL3400812

CCCN(CCC)C1CCN(C(=O)c2sc(-c3ccccc3C(F)(F)F)nc2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.53
CES2 O00748 1/20 0.44
CNR1 P21554 1/20 0.44
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
OXTR P30559 1/20 0.41
RBP4 P02753 1/20 0.39
MCHR1 Q99705 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
POLB P06746 1/20 0.39
SCD5 Q86SK9 1/20 0.38
RAB9A P51151 1/20 0.38
DRD3 P35462 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
SCHEMBL13310193 0.94 HTR2C (0.51) HTR2CCES2CNR1PPARDPPARA
SCHEMBL3401147 0.92 HTR2C (0.55) HTR2CCES2CNR1PPARDPPARA
SCHEMBL3404419 0.87 HTR2C (0.51) HTR2CCES2CNR1PPARDPPARA
SCHEMBL3400435 0.86 HTR2C (0.52) HTR2CCES2CNR1OXTRPOLB
SCHEMBL3402583 0.83 HTR2C (0.53) HTR2CCNR1PPARDPPARAMCHR1
SCHEMBL3403021 0.83 HTR2C (0.54) HTR2CCES2CNR1OXTRPOLB
SCHEMBL3399722 0.82 HTR2C (0.55) HTR2CCES2CNR1PPARDPPARA
SCHEMBL3402440 0.82 HTR2C (0.52) HTR2CCES2CNR1PPARDPPARA
SCHEMBL3405718 0.81 HTR2C (0.58) HTR2CCES2CNR1OXTRPOLB
SCHEMBL3405720 0.81 HTR2C (0.68) HTR2CCES2

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