SCHEMBL4747468

SCHEMBL4747468

CC(=O)N(c1ccc(Cl)cc1)c1ccc(OCCCCCN2CCN(CC(=O)N(C)C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4746206 0.91 HRH3 (0.57) HRH3MEN1KMT2A
SCHEMBL4743300 0.86 HRH3 (0.57) HRH3MEN1KMT2A
SCHEMBL4745363 0.85 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL4744711 0.85 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL4746222 0.84 HRH3 (0.54) HRH3MEN1KMT2A
SCHEMBL4747599 0.83 HRH3 (0.40) HRH3MEN1KMT2A
SCHEMBL4746760 0.81 HRH3 (0.51) HRH3MEN1KMT2A
SCHEMBL4746753 0.80 KDM4E (0.52) HRH3MEN1KMT2A
SCHEMBL4746684 0.79 HRH4 (0.55) HRH3
SCHEMBL4814712 0.78 KDM4E (0.50) HRH3

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