SCHEMBL807795

SCHEMBL807795

CCC(=O)NCc1ccc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)CC2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.38
NR1H4 Q96RI1 3/20 0.38
ENPP2 Q13822 3/20 0.34
P2RX7 Q99572 3/20 0.34
PDK2 Q15119 1/20 0.34
TRPV1 Q8NER1 8/20 0.33
DDR1 Q08345 2/20 0.32

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
SCHEMBL794436 0.95 EPHX2 (0.39) EPHX2NR1H4ENPP2P2RX7PDK2
SCHEMBL794207 0.87 EPHX2 (0.35) EPHX2NR1H4ENPP2P2RX7TRPV1
SCHEMBL793960 0.87 EPHX2 (0.44) EPHX2NR1H4ENPP2P2RX7TRPV1
SCHEMBL794817 0.86 EPHX2 (0.40) EPHX2NR1H4ENPP2P2RX7PDK2
SCHEMBL794236 0.85 MAPT (0.34) EPHX2NR1H4ENPP2P2RX7TRPV1
SCHEMBL792802 0.85 EPHX2 (0.39) EPHX2NR1H4ENPP2P2RX7TRPV1
SCHEMBL794609 0.84 EPHX2 (0.40) EPHX2NR1H4P2RX7
SCHEMBL794705 0.84 EPHX2 (0.35) EPHX2NR1H4ENPP2P2RX7PDK2
SCHEMBL15474190 0.83 EPHX2 (0.35) EPHX2NR1H4P2RX7TRPV1
SCHEMBL795264 0.83 EPHX2 (0.35) EPHX2NR1H4P2RX7TRPV1

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-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 WO disclosed