SCHEMBL4743823

SCHEMBL4743823

O=C(CCCC(=O)C1(c2ccccc2)CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1)CC1(c2ccccc2)CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HRH3 Q9Y5N1 10/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BCHE P06276 3/20 0.43
ACHE P22303 3/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL4745415 0.86 HRH4 (0.56) HRH4KDM4EALDH1A1HRH3BCHE
SCHEMBL4743821 0.84 HRH4 (0.48) HRH4KDM4EALDH1A1HRH3BCHE
SCHEMBL4743817 0.83 HRH4 (0.52) HRH4KDM4EALDH1A1HRH3BCHE
SCHEMBL4744547 0.82 HRH4 (0.60) HRH4KDM4EALDH1A1HRH3MEN1
SCHEMBL4744548 0.81 HRH4 (0.58) HRH4KDM4EALDH1A1HRH3MEN1
SCHEMBL4743808 0.80 HRH4 (0.64) HRH4KDM4EALDH1A1HRH3MEN1
SCHEMBL4745418 0.79 HRH4 (0.55) HRH4KDM4EALDH1A1HRH3MEN1
SCHEMBL4746228 0.74 DRD2 (0.69) HRH4ALDH1A1HRH3MEN1KMT2A
SCHEMBL4743805 0.73 KDM4E (0.69) HRH4KDM4EALDH1A1HRH3MEN1
SCHEMBL7367224 0.72 HRH3 (0.81) HRH4KDM4EALDH1A1HRH3MEN1

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-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed