SCHEMBL21023747

SCHEMBL21023747

Cc1cc(C(F)(F)F)nn1C1CC(N)C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
TGFBR1 P36897 1/20 0.32
NR3C2 P08235 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL18164067 0.90 GAA (0.37) GAALMNATGFBR1NR3C2KDM4E
SCHEMBL31389599 0.84 GAA (0.37) GAALMNATGFBR1NR3C2KDM4E
SCHEMBL19954577 0.83 MAP3K12 (0.31) TGFBR1
SCHEMBL18164113 0.77 GAA (0.38) DPP4FAPDPP8GAALMNA
SCHEMBL18163952 0.77 MPO (0.37) DPP4FAPDPP8GAALMNA
SCHEMBL21780763 0.77 GAA (0.40) DPP4FAPDPP8GAALMNA
SCHEMBL18163942 0.77 GAA (0.39) GAALMNATGFBR1NR3C2KDM4E
SCHEMBL18164033 0.77 GAA (0.36) DPP4FAPDPP8GAALMNA
SCHEMBL18164107 0.74 GAA (0.41) GAALMNATGFBR1NR3C2KDM4E
SCHEMBL21024096 0.74 GAA (0.44) GAALMNATGFBR1NR3C2KDM4E

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
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed