SCHEMBL7002643

SCHEMBL7002643

[B]c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.42
KIF11 P52732 2/20 0.41
CETP P11597 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DAO P14920 1/20 0.39
MPI P34949 1/20 0.39
XDH P47989 1/20 0.39
GALR1 P47211 1/20 0.39
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL3147185 0.84 GPR3 (0.50) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL2094855 0.77 GPR3 (0.45) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL254534 0.76 GPR3 (0.50) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL29435934 0.76 GPR3 (0.50) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL3146332 0.76 GPR3 (0.44) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL12245 0.74 ACHE (0.56) GPR3CETPCHRM2CHRM1CHRM3
SCHEMBL68084 0.74 GPR3 (0.42) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL6764359 0.74 KCNH2 (0.44) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL21487338 0.74 KIF11 (0.44) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL4036812 0.74 CHRM2 (0.43) GPR3KIF11CETPCHRM2CHRM1

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-1366043-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2003-12-03 EP disclosed
WO-2002064588-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-08-22 WO disclosed