SCHEMBL5743398

SCHEMBL5743398

CN(C)CCCC(=O)N1CCC(=NOCc2ccc(Cl)c(Cl)c2)C1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 10/20 0.41
PEX14 O75381 1/20 0.37
P2RX7 Q99572 1/20 0.36
EPHX2 P34913 1/20 0.36
GHSR Q92847 1/20 0.35
CLPP Q16740 1/20 0.35
F12 P00748 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL7215356 0.87 PEX14 (0.41) CCR4PEX14P2RX7EPHX2CLPP
SCHEMBL5736465 0.84 CCR4 (0.41) CCR4PEX14P2RX7EPHX2F12
SCHEMBL5736469 0.84 CCR4 (0.41) CCR4PEX14P2RX7EPHX2F12
SCHEMBL5484587 0.78 P2RX7 (0.37) CCR4PEX14P2RX7EPHX2DRD2
SCHEMBL5484586 0.78 P2RX7 (0.37) CCR4PEX14P2RX7EPHX2DRD2
SCHEMBL4945653 0.72 P2RX7 (0.42) CCR4PEX14P2RX7EPHX2
SCHEMBL4945655 0.72 P2RX7 (0.42) CCR4PEX14P2RX7EPHX2
SCHEMBL4936450 0.72 P2RX7 (0.40) CCR4PEX14P2RX7EPHX2
SCHEMBL4936458 0.72 P2RX7 (0.40) CCR4PEX14P2RX7EPHX2
SCHEMBL4936215 0.68 P2RX7 (0.41) CCR4PEX14P2RX7EPHX2

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
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed