SCHEMBL17469114

SCHEMBL17469114

CCN1Cc2ccc(OC)cc2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
CYP19A1 P11511 4/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
FADS1 O60427 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL17469119 0.91 HRH3 (0.41) MAOBCYP19A1CYP3A4SLC6A4SLC6A2
SCHEMBL17469000 0.81 MAOB (0.50) MAOBCYP19A1CYP3A4SLC6A4HRH3
SCHEMBL17459409 0.81 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL17469165 0.78 MAOB (0.47) MAOBCYP19A1CYP3A4SLC6A4HRH3
SCHEMBL17469070 0.78 GUSB (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL17459422 0.76 LMNA (0.48) MAOBCYP19A1SLC6A4SLC6A2SLC6A3
SCHEMBL17469157 0.75 MAOB (0.38) MAOBCYP19A1CYP3A4HCRTR1HCRTR2
SCHEMBL17469118 0.75 HTR1A (0.36) DRD2DRD4
SCHEMBL17469112 0.75 KDM4E (0.38) SLC6A4SLC6A2SLC6A3DRD2DRD4
SCHEMBL17468757 0.74 MAOB (0.44) MAOBCYP19A1CYP3A4SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed