SCHEMBL4053567

SCHEMBL4053567

CCOC(=O)N1CCC(N(C)Cc2cnc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.47
RORC P51449 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 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
SCHEMBL4057316 0.91 GPR119 (0.58) GPR119RORC
SCHEMBL4049314 0.91 GPR119 (0.49) GPR119RORC
SCHEMBL4058099 0.90 RORC (0.47) GPR119RORCRAB9ASMN1; SMN2MMP1
SCHEMBL4048482 0.89 GPR119 (0.56) GPR119RORC
SCHEMBL4060086 0.89 RORC (0.46) GPR119RORC
SCHEMBL4056917 0.88 NPY2R (0.48) GPR119RORC
SCHEMBL4561845 0.88 GPR119 (0.50) GPR119RORC
SCHEMBL3986279 0.87 GPR119 (0.51) GPR119ALDH1A1KDM4ELMNATSHR
SCHEMBL4387698 0.84 RORC (0.47) GPR119RORCLMNATSHRSMN1; SMN2
SCHEMBL3980947 0.80 GPR119 (0.53) GPR119

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 1 patent. 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 disclosed