SCHEMBL4746681

SCHEMBL4746681

CN(C)C(=O)CN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)c(N(C)C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.46
HRH1 P35367 1/20 0.45
DRD2 P14416 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 6/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAOA P21397 2/20 0.44

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
SCHEMBL4746202 0.90 MAOB (0.54) MAOBMAOA
SCHEMBL4746694 0.89 LSS (0.55) HRH3HRH1DRD2MEN1KMT2A
SCHEMBL4743286 0.88 DRD2 (0.48) HRH3HRH1DRD2MEN1KMT2A
SCHEMBL4743300 0.88 HRH3 (0.57) HRH3HRH1DRD2MEN1KMT2A
SCHEMBL4746760 0.83 HRH3 (0.51) HRH3HRH1DRD2MEN1KMT2A
SCHEMBL4747494 0.82 HRH3 (0.46) HRH3HRH1DRD2MEN1KMT2A
SCHEMBL4745404 0.81 F10 (0.49) HRH3HRH1DRD2MEN1KMT2A
SCHEMBL4746206 0.80 HRH3 (0.57) HRH3MEN1KMT2A
SCHEMBL4744711 0.79 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL4745363 0.79 HRH3 (0.56) HRH3MEN1KMT2A

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