SCHEMBL6201831

SCHEMBL6201831

[O]C(CCO)Cc1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
EPHX1 P07099 1/20 0.32
BCHE P06276 1/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6204253 0.79 PPARG (0.40) DPP4KMT2ATAAR1LMNAHPGD
SCHEMBL6201835 0.78 THRB (0.36) DPP4CES2CES1GAAKDM4E
SCHEMBL6204698 0.72 CES2 (0.38) DPP4CES2CES1GAAMAPT
SCHEMBL10025488 0.71 GAA (0.38) DPP4CES2CES1GAAMAPT
SCHEMBL10058270 0.69 GAA (0.37) DPP4CES2CES1GAAKMT2A
SCHEMBL6204700 0.68 CES2 (0.37) DPP4CES2CES1GAAMAPT
SCHEMBL249134 0.68 TAAR1 (0.45) CES2CES1GAAKDM4ETAAR1
SCHEMBL2422907 0.67 GAA (0.38) DPP4CES2CES1GAAKMT2A
SCHEMBL14478256 0.67 SLC6A2 (0.52) TAAR1
SCHEMBL6203907 0.67 SMN1; SMN2 (0.36) DPP4GAAKMT2AKDM4ETAAR1

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed