SCHEMBL21023567

SCHEMBL21023567

Cc1cc(C(F)(F)F)nn1C1CCC(=O)NC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.37
GAA P10253 1/20 0.35
IL1B P01584 1/20 0.34
PDE4B Q07343 2/20 0.34
PDE3A Q14432 2/20 0.34
PLAT P00750 1/20 0.33
NR3C2 P08235 1/20 0.32
TGFBR1 P36897 3/20 0.32
TACR1 P25103 1/20 0.32
SLC5A1 P13866 3/20 0.32
LMNA P02545 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19954634 0.84 CRBN (0.35) CRBNIL1BPDE4BPDE3APLAT
SCHEMBL21023766 0.79 PLAT (0.38) GAAPDE4BPDE3APLATNR3C2
SCHEMBL21780763 0.78 GAA (0.40) GAANR3C2TGFBR1LMNATP53
SCHEMBL21023577 0.78 TGFBR1 (0.44) GAAPLATTGFBR1
SCHEMBL18164107 0.75 GAA (0.41) GAANR3C2TGFBR1LMNATP53
SCHEMBL21024096 0.75 GAA (0.44) GAANR3C2TGFBR1LMNA
SCHEMBL14638771 0.75 PLAT (0.45) GAAPLATNR3C2TGFBR1IRAK4
SCHEMBL12912163 0.74 GAA (0.43) GAANR3C2LMNACYP2C9CYP2C19
SCHEMBL18163942 0.72 GAA (0.39) GAANR3C2TGFBR1LMNATP53
SCHEMBL18164033 0.72 GAA (0.36) GAANR3C2TGFBR1LMNA

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