SCHEMBL3401147

SCHEMBL3401147

CCN(CC)C1CCN(C(=O)c2sc(-c3ccccc3C(F)(F)F)nc2C)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.55
CNR1 P21554 1/20 0.45
CES2 O00748 1/20 0.45
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
RBP4 P02753 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
MCHR1 Q99705 1/20 0.40
OXTR P30559 1/20 0.40
POLB P06746 1/20 0.40
SCD5 Q86SK9 1/20 0.39
RAB9A P51151 1/20 0.39

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 0.94 HTR2C (0.51) HTR2CCNR1CES2PPARDPPARA
SCHEMBL3400812 0.92 HTR2C (0.53) HTR2CCNR1CES2PPARDPPARA
SCHEMBL3405718 0.89 HTR2C (0.58) HTR2CCNR1CES2OXTRPOLB
SCHEMBL13310193 0.88 HTR2C (0.51) HTR2CCNR1CES2PPARDPPARA
SCHEMBL3398163 0.88 HTR2C (0.57) HTR2CCNR1CES2OXTRPOLB
SCHEMBL3399813 0.87 HTR2C (0.56) HTR2CCNR1CES2PPARDPPARA
SCHEMBL3402631 0.86 HTR2C (0.74) HTR2CCNR1CES2
SCHEMBL3405059 0.85 HTR2C (0.56) HTR2CCNR1CES2CYP2C9CYP2C19
SCHEMBL3400102 0.85 HTR2C (0.54) HTR2CCNR1CES2OXTRPOLB
SCHEMBL3402583 0.85 HTR2C (0.53) HTR2CCNR1PPARDPPARAMCHR1

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