SCHEMBL4635120

SCHEMBL4635120

NC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2CC3C(N)C3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.42
GRM5 P41594 6/20 0.40
GRM2 Q14416 3/20 0.40
FASN P49327 1/20 0.39
TDO2 P48775 1/20 0.39
BTK Q06187 2/20 0.38
CLPP Q16740 1/20 0.36
HSD11B1 P28845 2/20 0.36
PARP10 Q53GL7 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL4635067 0.80 HSD11B1 (0.51) PAX8HSD11B1
SCHEMBL5616614 0.76 IKBKB (0.51) GRM2BTK
SCHEMBL4635248 0.76 HCRTR1 (0.45) HSD11B1HCRTR1HCRTR2
SCHEMBL4636549 0.75 CPS1 (0.53)
SCHEMBL4635404 0.72 PLA2G7 (0.60) HSD11B1
SCHEMBL4635281 0.72 HPGD (0.58) FASNHSD11B1
SCHEMBL28142061 0.72 IKBKB (0.48) GRM2BTK
SCHEMBL28797308 0.71 IKBKB (0.43) BTK
SCHEMBL4635371 0.71 EPHX2 (0.60) PAX8HSD11B1
SCHEMBL4898713 0.71 HCRTR1 (0.57) HCRTR1HCRTR2

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-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed