SCHEMBL3401445

SCHEMBL3401445

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.45
CRHR1 P34998 6/20 0.41
THRB P10828 1/20 0.40
POLB P06746 1/20 0.37
CES2 O00748 1/20 0.37
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3404754 0.90 HTR2C (0.42) HTR2CCRHR1CES2
SCHEMBL3402440 0.90 HTR2C (0.52) HTR2CCRHR1THRBPOLBCES2
SCHEMBL3402247 0.89 HTR2C (0.47) HTR2CTHRBPOLBCES2CNR1
SCHEMBL3400201 0.86 HTR2C (0.51) HTR2CCRHR1THRBPOLBCES2
SCHEMBL3401307 0.85 HTR2C (0.46) HTR2CCRHR1THRBPOLBCES2
SCHEMBL3402686 0.84 HTR2C (0.46) HTR2CCRHR1THRBCES2CNR1
SCHEMBL3403021 0.84 HTR2C (0.54) HTR2CCRHR1THRBPOLBCES2
SCHEMBL3401208 0.83 HTR2C (0.44) HTR2CTHRBPOLBCES2
SCHEMBL3404774 0.83 HTR2C (0.45) HTR2CCRHR1THRBCES2CNR1
SCHEMBL3402513 0.83 HTR2C (0.45) HTR2CCRHR1THRBCES2CNR1

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