SCHEMBL3404419

SCHEMBL3404419

CCN(CC)C1CCN(C(=O)c2sc(-c3ccccc3C(F)(F)F)nc2C)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.51
MCHR1 Q99705 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
POLR1A O95602 1/20 0.42
CES2 O00748 1/20 0.42
SCD5 Q86SK9 1/20 0.42
CNR1 P21554 1/20 0.41
JAK1 P23458 2/20 0.40

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
SCHEMBL3401147 0.94 HTR2C (0.55) HTR2CMCHR1PPARDPPARACES2
SCHEMBL3399761 0.89 HTR2C (0.53) HTR2CMCHR1POLR1ACES2CNR1
SCHEMBL3402583 0.89 HTR2C (0.53) HTR2CMCHR1PPARDPPARASCD5
SCHEMBL3404740 0.89 HTR2C (0.52) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3402535 0.88 HTR2C (0.52) HTR2CMCHR1PPARDPPARAPOLR1A
SCHEMBL3405032 0.87 HTR2C (0.69) HTR2CPOLR1ACES2
SCHEMBL3400812 0.87 HTR2C (0.53) HTR2CMCHR1PPARDPPARACES2
SCHEMBL3405397 0.86 HTR2C (0.50) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3402532 0.86 HTR2C (0.52) HTR2CPOLR1ACES2CNR1JAK1
SCHEMBL3405482 0.85 HTR2C (0.52) HTR2CPOLR1ACES2CNR1JAK1

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 3 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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed