SCHEMBL3402583

SCHEMBL3402583

Cc1nc(-c2ccccc2C(F)(F)F)sc1C(=O)N1CCC(N(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.53
PDK2 Q15119 1/20 0.48
MCHR1 Q99705 1/20 0.47
CNR1 P21554 1/20 0.43
SCD5 Q86SK9 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
RAB9A P51151 1/20 0.41
PARP1 P09874 1/20 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
SCHEMBL3404419 0.89 HTR2C (0.51) HTR2CMCHR1CNR1SCD5PPARD
SCHEMBL3400023 0.86 HTR2C (0.73) HTR2CCNR1PARP1
SCHEMBL3405516 0.86 HTR2C (0.53) HTR2CPDK2CNR1HRH3
SCHEMBL3403464 0.85 HTR2C (0.52) HTR2CPDK2MCHR1CNR1HRH3
SCHEMBL3401147 0.85 HTR2C (0.55) HTR2CMCHR1CNR1SCD5PPARD
SCHEMBL3399443 0.85 HTR2C (0.54) HTR2CPDK2CNR1HRH3PARP1
SCHEMBL3399878 0.84 HTR2C (0.58) HTR2CPDK2CNR1HRH3PARP1
SCHEMBL3400812 0.83 HTR2C (0.53) HTR2CMCHR1CNR1SCD5PPARD
SCHEMBL13344919 0.83 HTR2C (0.50) HTR2CPDK2CNR1SCD5PPARD
SCHEMBL13310179 0.81 HTR2C (0.58) HTR2CCNR1HRH3

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