SCHEMBL807889

SCHEMBL807889

CCC(=O)NCc1ccc(N2CC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)CC2=O)nc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
GRIA2 P42262 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CMKLR1 Q99788 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL12467301 0.95 P2RX7 (0.35) P2RX7CYP2C9CYP1A2GRIA2F2
SCHEMBL795833 0.79 CYP1A2 (0.34) CYP2C9CYP1A2GRIA2
SCHEMBL15466205 0.78 CYP1A2 (0.33) P2RX7CYP2C9CYP1A2GRIA2
SCHEMBL807798 0.78 TRAP1 (0.30)
SCHEMBL794401 0.73 EPHX2 (0.38) P2RX7CYP2C9CYP1A2GRIA2EPHX2
SCHEMBL798081 0.73 TRPV1 (0.31) CYP2C9CYP1A2GRIA2
SCHEMBL794885 0.72 P2RX7 (0.40) P2RX7EPHX2
SCHEMBL15465826 0.72 TRPV1 (0.37) P2RX7CYP2C9CYP1A2GRIA2EPHX2
SCHEMBL795686 0.70 NR1H2 (0.34) CYP1A2GRIA2EPHX2
SCHEMBL15888062 0.70 TRPV1 (0.35) P2RX7

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