SCHEMBL3983646

SCHEMBL3983646

CCN1CCC(CNc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
USP30 Q70CQ3 1/20 0.47
PTGS2 P35354 4/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
TNF P01375 1/20 0.44
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PIM1 P11309 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
LRRK2 Q5S007 1/20 0.40
VCP P55072 1/20 0.39
ACHE P22303 1/20 0.39
CCR6 P51684 1/20 0.39
PTGS1 P23219 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL3978507 0.85 USP30 (0.47) KDM4ETSHRHSD17B10USP30PTGS2
SCHEMBL3986036 0.83 GRIN2B (0.48) KDM4ETSHRHSD17B10CKS1BSKP1
SCHEMBL5085870 0.83 PTGS2 (0.47) KDM4ETSHRHSD17B10USP30PTGS2
SCHEMBL3983755 0.82 KDM4E (0.43) KDM4ETSHRHSD17B10USP30PTGS2
SCHEMBL3979867 0.81 KDM4E (0.51) KDM4ETSHRHSD17B10USP30PTGS2
SCHEMBL5083458 0.80 GPR119 (0.60) GPR119
SCHEMBL5083434 0.80 KDM4E (0.52) KDM4ETSHRHSD17B10USP30PTGS2
SCHEMBL3982989 0.79 KDM4E (0.48) KDM4ETSHRHSD17B10USP30PTGS2
SCHEMBL3983386 0.78 GPR119 (0.56) KDM4ETSHRHSD17B10GPR119
SCHEMBL3980600 0.77 GRIN2B (0.65)

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
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed