SCHEMBL3985271

SCHEMBL3985271

CS(=O)(=O)c1ccc(-c2ccc(CN3CCC(N)CC3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.46
GPR119 Q8TDV5 6/20 0.43
KCNH2 Q12809 2/20 0.42
STAT3 P40763 1/20 0.41
MLNR O43193 1/20 0.41
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
GPR183 P32249 1/20 0.40
ROCK2 O75116 2/20 0.39
DRD2 P14416 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CTSC P53634 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
SCHEMBL4050438 0.84 GPR119 (0.43) TNFGPR119KCNH2JAK2JAK3
SCHEMBL17967843 0.84 DRD2 (0.51) GPR119KCNH2JAK2JAK3JAK1
Hydrochloric Acid SCHEMBL4055905 0.83 GPR119 (0.43) TNFGPR119KCNH2JAK2JAK3
SCHEMBL25364420 0.73 GPR119 (0.40) TNFGPR119STAT3GPR183ROCK2
SCHEMBL30541566 0.73 GPR119 (0.40) TNFGPR119STAT3GPR183ROCK2
SCHEMBL21770450 0.73 PTGS2 (0.54) KCNH2
SCHEMBL21769964 0.73 RORC (0.46) TNF
SCHEMBL3981405 0.72 KCNJ1 (0.47) TNFGPR119KCNH2MLNRGPR183
SCHEMBL3051776 0.71 HRH3 (0.48) TNFMLNRHRH3
SCHEMBL14375228 0.71 HRH3 (0.65) GPR119KCNH2JAK2JAK3JAK1

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