SCHEMBL8556563

SCHEMBL8556563

CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2ncncc2[nH]1.CN(C)CCN(CCN(C)C)c1ccccc1-c1nc2ncncc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
NPY5R Q15761 1/20 0.40
PDE5A O76074 13/20 0.37
PTGES O14684 1/20 0.36
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
AURKA O14965 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL7156577 0.96 METAP2 (0.46) METAP2METAP1NPY5RPDE5APTGES
SCHEMBL7153868 0.94 METAP2 (0.48) METAP2METAP1NPY5RPDE5APTGES
SCHEMBL7156840 0.85 NPY5R (0.38) METAP2METAP1NPY5RPDE5APDE4A
SCHEMBL7554712 0.83 PTGES (0.34) PDE5APTGES
SCHEMBL8520010 0.80 HRH3 (0.40) METAP2METAP1NPY5RPDE5APTGES
SCHEMBL7160110 0.80 PDE5A (0.56) METAP2METAP1PDE5APDE4APDE4B
SCHEMBL7155316 0.78 TSHR (0.36) PDE5APTGES
SCHEMBL7158378 0.78 PDE5A (0.55) METAP2METAP1PDE5APDE4APDE4B
SCHEMBL7553973 0.77 PDE5A (0.53) METAP2METAP1NPY5RPDE5AAURKA
SCHEMBL7153694 0.76 PTGES (0.37) PDE5APTGES

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-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed