SCHEMBL798835

SCHEMBL798835

CCC(=O)NCc1ccc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(S(=O)(=O)C(F)(F)F)C2=O)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 8/20 0.36
EPHX2 P34913 4/20 0.35
P2RX7 Q99572 5/20 0.35
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
METAP2 P50579 2/20 0.34
NR1H4 Q96RI1 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
SCHEMBL794434 0.85 EPHX2 (0.37) DDR1EPHX2P2RX7METAP2
SCHEMBL794885 0.77 P2RX7 (0.40) EPHX2P2RX7
SCHEMBL13826737 0.77 P2RX7 (0.35) EPHX2P2RX7
SCHEMBL792802 0.76 EPHX2 (0.39) DDR1EPHX2P2RX7NR1H4
SCHEMBL15474197 0.75 AR (0.39) P2RX7
SCHEMBL27916489 0.74 P2RX7 (0.41) P2RX7
SCHEMBL15474203 0.73 EPHX2 (0.41) EPHX2P2RX7METAP2
SCHEMBL13730515 0.72 P2RX7 (0.35) DDR1EPHX2P2RX7
SCHEMBL18372179 0.72 P2RX7 (0.34) DDR1EPHX2P2RX7
SCHEMBL13826940 0.71 P2RX7 (0.33) DDR1EPHX2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616437-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 WO disclosed