SCHEMBL6558943

SCHEMBL6558943

NCCCCc1cn[nH]c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
MAOA P21397 1/20 0.37
HRH3 Q9Y5N1 5/20 0.33
HRH4 Q9H3N8 4/20 0.33
HRH1 P35367 10/20 0.32
HRH2 P25021 2/20 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
SCHEMBL6558387 0.96 KIF11 (0.38) KIF11MAOAHRH3HRH4
SCHEMBL6557081 0.75 NPSR1 (0.43)
SCHEMBL6557087 0.74 SIGMAR1 (0.42)
SCHEMBL13835480 0.70 TRPA1 (0.35)
Hydrochloric Acid SCHEMBL6558967 0.68 HRH3 (0.43) HRH3HRH4HRH1HRH2
SCHEMBL31518957 0.68 PLK4 (0.41)
SCHEMBL5147620 0.67 KIF11 (0.36) KIF11
SCHEMBL8973702 0.63 KIF11 (0.41) KIF11MAOAHRH1
SCHEMBL2283152 0.62 KIF11 (0.74) KIF11MAOA
SCHEMBL6558942 0.62 KCNN4 (0.39) KIF11

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-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed