SCHEMBL14432506

SCHEMBL14432506

N#Cc1ccc2oc(CN3CCNCC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.58
KDM1A O60341 1/20 0.41
PTGES O14684 1/20 0.39
USP2 O75604 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CETP P11597 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 1/20 0.36
CHRM3 P20309 1/20 0.36
CHEK1 O14757 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL1514939 0.78 SOS1 (0.67) SOS1DRD2DRD3LMNA
SCHEMBL4908136 0.78 SOS1 (0.67) SOS1DRD2DRD3LMNA
SCHEMBL2709110 0.77 PTGES (0.52) PTGESHRH3DRD2DRD3LMNA
SCHEMBL2320507 0.76 SOS1 (0.42) SOS1HRH3LMNA
SCHEMBL5237404 0.76 HRH3 (0.53) KDM1AHRH3CHRM3
SCHEMBL2789701 0.75 CETP (0.42) CETP
SCHEMBL16515861 0.75 CETP (0.42) CETP
SCHEMBL5229436 0.75 PSMB8 (0.44) CETPLMNA
SCHEMBL2322280 0.73 SOS1 (0.40) SOS1HRH3LMNA
SCHEMBL23932531 0.72 SOS1 (0.62) SOS1LMNA

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-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed