SCHEMBL4051291

SCHEMBL4051291

Clc1ccc(OC2CCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.47
PROKR1 Q8TCW9 1/20 0.47
MMP1 P03956 1/20 0.44
IP6K1 Q92551 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
KCNH2 Q12809 3/20 0.39
ACACB O00763 2/20 0.38
DGAT1 O75907 2/20 0.37
SOAT1 P35610 2/20 0.37
HCRTR1 O43613 1/20 0.37
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
LIPE Q05469 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
SCHEMBL16839481 0.95 FPR2 (0.46) FPR2PROKR1MMP1IP6K1HRH3
SCHEMBL30843204 0.92 FPR2 (0.49) FPR2PROKR1MMP1IP6K1HRH3
SCHEMBL4677168 0.86 FPR2 (0.45) FPR2PROKR1MMP1IP6K1HRH3
SCHEMBL17559331 0.84 FPR2 (0.44) FPR2PROKR1MMP1IP6K1
SCHEMBL4703772 0.84 FPR2 (0.44) FPR2PROKR1MMP1IP6K1KCNH2
SCHEMBL648307 0.84 FPR2 (0.44) FPR2PROKR1MMP1IP6K1KCNH2
SCHEMBL13529007 0.84 FPR2 (0.47) FPR2PROKR1MMP1IP6K1HRH3
SCHEMBL943237 0.84 TDO2 (0.48) FPR2PROKR1MMP1IP6K1
Hydrochloric Acid SCHEMBL942643 0.83 TDO2 (0.47) FPR2PROKR1MMP1IP6K1KCNH2
Hydrochloric Acid SCHEMBL2779881 0.83 TDO2 (0.47) FPR2PROKR1MMP1IP6K1KCNH2

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-2080758-A2 Halogen substituted delta-1-pyrrolines Bayer CropScience AG (DE) 2009-07-22 EP disclosed
EP-2080758-A2 Halogen substituted delta-1-pyrrolines Bayer CropScience AG (DE) 2009-07-22 EP disclosed
WO-2009068194-A2 HALOGEN-SUBSTITUTED Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2009-06-04 WO disclosed