SCHEMBL324952

SCHEMBL324952

CSCC(=O)NC1CCc2cc(C3=NCC(c4cc(Cl)c(Cl)c(Cl)c4)(C(F)(F)F)C3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL807572 0.91 CYP11B2 (0.41) BDKRB1CYP11B1CYP11B2
SCHEMBL326937 0.90 BDKRB1 (0.36) BDKRB1POLBCYP11B1CYP11B2TRPV1
SCHEMBL327626 0.88 CA12 (0.40) BDKRB1CYP11B1CYP11B2TRPV1
SCHEMBL325428 0.86 BDKRB1 (0.39) BDKRB1POLBHTTSMN1; SMN2
SCHEMBL324862 0.86 CYP11B2 (0.41) BDKRB1CYP11B1CYP11B2
SCHEMBL15516270 0.84 CYP11B2 (0.40) BDKRB1CYP11B1CYP11B2
SCHEMBL12745005 0.82 BDKRB1 (0.37) BDKRB1TRPV1
SCHEMBL326134 0.82 CYP11B2 (0.45) CYP11B1CYP11B2TRPV1
SCHEMBL12745124 0.81 CA12 (0.41) BDKRB1TRPV1
SCHEMBL3462517 0.80 BDKRB1 (0.40) BDKRB1

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-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed