SCHEMBL4742594

SCHEMBL4742594

O=C(CN1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)coc3c2)CC1)NCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.56
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL4744392 0.99 HRH3 (0.58) HRH3BCHEACHEKDM4EMEN1
SCHEMBL4746369 0.94 HRH3 (0.49) HRH3ACHEKDM4E
SCHEMBL4744473 0.91 HRH3 (0.50) HRH3
SCHEMBL4744495 0.91 HRH3 (0.51) HRH3BCHEACHE
SCHEMBL4742644 0.90 HRH3 (0.52) HRH3BCHEACHE
SCHEMBL4742019 0.90 HRH3 (0.49) HRH3BCHEACHE
SCHEMBL4744967 0.90 HRH3 (0.49) HRH3BCHEACHE
SCHEMBL4742556 0.89 HRH3 (0.54) HRH3BCHEACHE
SCHEMBL4745148 0.89 HRH3 (0.48) HRH3
SCHEMBL4784824 0.88 HRH3 (0.47) HRH3BCHEACHE

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-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO claimed