SCHEMBL28025344

SCHEMBL28025344

CC(=O)NCc1ccccc1N1CCC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 2/20 0.40
SCN2A Q99250 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
EPHX2 P34913 3/20 0.36
NR1H4 Q96RI1 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDK2 Q15119 1/20 0.34
LIPG Q9Y5X9 2/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
METAP2 P50579 1/20 0.34
F2 P00734 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 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
SCHEMBL539828 0.83 EPHX2 (0.43) EPHX2NR1H4KCNH2
SCHEMBL540749 0.83 EPHX2 (0.37) SETDB1EPHX2NR1H4METAP2
SCHEMBL27996653 0.82 EPHX2 (0.38) EPHX2NR1H4CYP3A4CYP2C19FABP3
SCHEMBL15468119 0.82 TRPV1 (0.38) EPHX2NR1H4KCNH2
SCHEMBL793911 0.82 EPHX2 (0.36) SETDB1EPHX2NR1H4KCNH2METAP2
SCHEMBL8406404 0.81 MAPT (0.35) EPHX2NR1H4
SCHEMBL27989413 0.81 NCF1 (0.37)
SCHEMBL795683 0.81 EPHX2 (0.35) SETDB1EPHX2NR1H4
SCHEMBL15466458 0.79 P2RX7 (0.35) SETDB1EPHX2NR1H4KCNH2
SCHEMBL15466715 0.78 NR1H2 (0.44) EPHX2NR1H4

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
CN-103483235-B The aryl pyrrolidines of desinsection BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) 2015-09-09 CN disclosed