SCHEMBL3404754

SCHEMBL3404754

CCCN(CC1CC1)C1CCN(C(=O)c2sc(-c3cc(C(F)(F)F)ccc3Cl)nc2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
CRHR1 P34998 10/20 0.39
RORC P51449 4/20 0.39
CHRM4 P08173 1/20 0.38
CRHR2 Q13324 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL3401445 0.90 HTR2C (0.45) HTR2CCRHR1CES2
SCHEMBL3402202 0.89 HTR2C (0.44) HTR2CRORCCHRM4KMT2ACES2
SCHEMBL3402440 0.87 HTR2C (0.52) HTR2CCRHR1CES2
SCHEMBL13310193 0.84 HTR2C (0.51) HTR2CCHRM4CES2
SCHEMBL3400201 0.84 HTR2C (0.51) HTR2CCRHR1CES2
SCHEMBL3401307 0.82 HTR2C (0.46) HTR2CCRHR1CES2
SCHEMBL3404774 0.82 HTR2C (0.45) HTR2CCRHR1CES2
SCHEMBL3402513 0.82 HTR2C (0.45) HTR2CCRHR1CES2
SCHEMBL3402686 0.82 HTR2C (0.46) HTR2CCRHR1CES2
SCHEMBL3403021 0.81 HTR2C (0.54) HTR2CCRHR1CES2

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