SCHEMBL27424916

SCHEMBL27424916

CC(=O)C(C)C.CC(C)C(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
LMNA P02545 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.43
CTRB1 P17538 2/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
NOS2 P35228 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL1980156 0.85 DPP4 (0.68) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL7286165 0.85 DPP4 (0.68) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL522687 0.85 DPP4 (0.68) DPP4LMNAADRA2AADRA2CHIF1A
Hydrochloric Acid SCHEMBL22713306 0.83 DPP4 (0.65) DPP4LMNAADRA2AADRA2CHIF1A
Bromide SCHEMBL11538603 0.83 DPP4 (0.65) DPP4LMNAADRA2AADRA2CHIF1A
Hydrochloric Acid SCHEMBL3753145 0.83 DPP4 (0.65) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL7710838 0.82 DPP4 (0.52) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL8219735 0.78 DPP4 (0.52) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL19649931 0.78 DPP4 (0.52) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL11985509 0.76 LMNA (0.48) DPP4LMNAADRA2AADRA2CHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1090617-C Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 2002-09-11 CN disclosed
CN-1349796-A Pyrrole derivatives and medicine composition NIPPON SHINYAKU CO LTD (JP) 2002-05-22 CN disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN disclosed