SCHEMBL4050804

SCHEMBL4050804

CN(Cc1cnc(-c2ccc(NS(C)(=O)=O)cc2)cn1)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
GPR119 Q8TDV5 1/20 0.40
TSHR P16473 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ATR Q13535 1/20 0.38

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
SCHEMBL13690407 0.89 ATR (0.43) HTR1ATSHRATR
SCHEMBL13690522 0.87 ATR (0.42) HTR1ATSHRATR
SCHEMBL4062791 0.87 HTR1A (0.44) HTR1AGPR119TSHRATR
SCHEMBL4057842 0.87 HTR1A (0.43) HTR1ATSHR
SCHEMBL4057691 0.81 TSHR (0.48) HTR1ATSHR
SCHEMBL13690619 0.81 ATR (0.41) HTR1ATSHRATR
SCHEMBL4048254 0.80 GPR119 (0.46) GPR119
SCHEMBL13690548 0.80 JAK2 (0.44) HTR1ATSHRATR
SCHEMBL13690362 0.80 GPR119 (0.41) HTR1AGPR119TSHR
SCHEMBL4368252 0.79 HTR1A (0.42) HTR1ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO claimed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed