SCHEMBL325531

SCHEMBL325531

CCC(=O)NCc1ccc(C2=NCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CACNA1H O95180 6/20 0.35
RORC P51449 7/20 0.34
P2RY12 Q9H244 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
SCHEMBL319713 0.87 EPHX2 (0.37) EPHX2NR1H4
SCHEMBL318197 0.87 EPHX2 (0.37) EPHX2NR1H4
SCHEMBL926339 0.83 NOTUM (0.34) CACNA1H
SCHEMBL318389 0.82 EPHX2 (0.33) EPHX2NR1H4
SCHEMBL318073 0.78 EPHX2 (0.35) EPHX2NR1H4
SCHEMBL319182 0.78 BACE1 (0.36) CACNA1H
SCHEMBL318019 0.78 EPHX2 (0.40) EPHX2NR1H4
SCHEMBL318968 0.78 BACE1 (0.34) EPHX2NR1H4
SCHEMBL1808032 0.77 CACNA1H (0.39) CACNA1H
SCHEMBL318477 0.77 EPHX2 (0.34) 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
WO-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed