SCHEMBL122340

SCHEMBL122340

O=C(NCCC1CC1)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.39
CHRM4 P08173 3/20 0.39
DHODH Q02127 2/20 0.36
CHRM1 P11229 1/20 0.35
SCD O00767 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL121349 0.94 BDKRB1 (0.39) BDKRB1CHRM4DHODHCHRM1SCD
SCHEMBL121591 0.93 DHODH (0.40) BDKRB1CHRM4DHODH
SCHEMBL1958511 0.91 BDKRB1 (0.38) BDKRB1CHRM4DHODH
SCHEMBL120762 0.87 BDKRB1 (0.37) BDKRB1CHRM4DHODH
SCHEMBL29912749 0.86 DHODH (0.41) DHODH
SCHEMBL10028760 0.86 DHODH (0.41) DHODH
SCHEMBL320836 0.86 P2RX7 (0.42) DHODHCHRM1P2RX7
SCHEMBL4162093 0.85 NTRK1 (0.41) DHODHP2RX7
SCHEMBL1533505 0.85 CHRM4 (0.38) BDKRB1CHRM4DHODH
SCHEMBL2138302 0.85 P2RX7 (0.41) CHRM4DHODHCHRM1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424370-A2 FOAMABLE PESTICIDE COMPOSITIONS BASF Corporation (US) 2012-03-07 EP claimed
EP-2424347-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF Corporation (US) 2012-03-07 EP claimed
WO-2011025789-A2 FOAMABLE PESTICIDE COMPOSITIONS AND METHODS OF APPLICATION BASF CORPORATION (US) 2011-03-03 WO claimed
WO-2011069143-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL LIMITED (US) 2011-06-09 WO disclosed
WO-2011025789-A2 FOAMABLE PESTICIDE COMPOSITIONS AND METHODS OF APPLICATION BASF CORPORATION (US) 2011-03-03 WO disclosed