SCHEMBL3401307

SCHEMBL3401307

CCCN(CC1CC1)C1CCN(C(=O)c2sc(-c3cc(C)c(C)cc3C)nc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.46
CRHR1 P34998 5/20 0.39
CES2 O00748 1/20 0.38
CNR1 P21554 1/20 0.37
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
OXTR P30559 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3402686 0.90 HTR2C (0.46) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3404774 0.89 HTR2C (0.45) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3402513 0.89 HTR2C (0.45) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3403021 0.88 HTR2C (0.54) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3400826 0.87 HTR2C (0.48) HTR2CCES2CNR1THRBTHRA
SCHEMBL3403572 0.86 HTR2C (0.52) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3402533 0.86 HTR2C (0.56) HTR2CCRHR1CES2CNR1OXTR
SCHEMBL3401445 0.85 HTR2C (0.45) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3402440 0.85 HTR2C (0.52) HTR2CCRHR1CES2CNR1THRB
SCHEMBL3405720 0.84 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 2 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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed