SCHEMBL5035353

SCHEMBL5035353

FC(F)(F)c1ccc(C2=CC[N]CC2)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
CES2 O00748 2/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
TRPV3 Q8NET8 3/20 0.35
GPR3 P46089 1/20 0.34
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTR2C P28335 1/20 0.32
IL1B P01584 1/20 0.32
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TDP2 O95551 1/20 0.31
CYP2C9 P11712 1/20 0.31
SCN9A Q15858 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
SCHEMBL5584728 0.77 KIF11 (0.44)
SCHEMBL3120305 0.74 HTR2C (0.56) HTR2CPARP10
SCHEMBL3546967 0.72 HTR2C (0.36) CES2HTR2C
SCHEMBL28676412 0.72 TSHR (0.56) ABCC8KCNJ11CES2ALOX5APFEN1
SCHEMBL12557972 0.71 AR (0.35) ABCC8KCNJ11CES2ALOX5APFEN1
SCHEMBL5435967 0.69 NOTUM (0.46) PDE3BPDE3A
SCHEMBL5035228 0.65 AHR (0.39) GAATSHR
SCHEMBL24017166 0.64 CES2 (0.46) ABCC8KCNJ11CES2ALOX5APFEN1
SCHEMBL15933619 0.64 TSHR (0.56) ABCC8KCNJ11CES2GPR3GLA
SCHEMBL28020463 0.64 KIF11 (0.59) ABCC8KCNJ11CES2ALOX5APFEN1

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
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed