SCHEMBL4747531

SCHEMBL4747531

CN1CCN(C(=O)CN2CCN(CCCCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
HRH3 Q9Y5N1 13/20 0.55
HRH1 P35367 2/20 0.55
HRH4 Q9H3N8 1/20 0.55
KCNA5 P22460 2/20 0.53
DRD3 P35462 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH2 P25021 1/20 0.53

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
SCHEMBL4746702 0.85 DRD2 (0.57) DRD2HRH3HRH1HRH4DRD3
SCHEMBL4746238 0.85 HRH3 (0.65) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4743140 0.85 HRH3 (0.65) DRD2HRH3HRH1HRH4KCNA5
SCHEMBL4743300 0.83 HRH3 (0.57) DRD2HRH3HRH1HRH4MEN1
SCHEMBL4745332 0.83 HRH3 (0.57) DRD2HRH3HRH1HRH4KCNA5
SCHEMBL4746227 0.81 HRH3 (0.59) HRH3HRH1HRH4
SCHEMBL4747562 0.81 HRH3 (0.55) DRD2HRH3HRH1HRH4KCNA5
SCHEMBL4743813 0.81 HRH3 (0.55) DRD2HRH3HRH1HRH4MEN1
SCHEMBL7367224 0.81 HRH3 (0.81) HRH3HRH4MEN1KMT2A
SCHEMBL4743801 0.81 HRH3 (0.59) DRD2HRH3HRH1HRH4MEN1

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