SCHEMBL4746702

SCHEMBL4746702

O=C(c1ccc(Cl)cc1)c1ccc(OCCCCCN2CCN(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
DRD3 P35462 3/20 0.57
HRH1 P35367 2/20 0.57
HTR1A P08908 1/20 0.57
DRD1 P21728 1/20 0.57
DRD5 P21918 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR7 P34969 1/20 0.57
HTR2B P41595 1/20 0.57
ADRA1A P35348 1/20 0.52
HRH3 Q9Y5N1 7/20 0.51
DRD4 P21917 1/20 0.51
HRH4 Q9H3N8 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL4746228 0.90 DRD2 (0.69) DRD2DRD3HRH1HTR1ADRD1
SCHEMBL4747531 0.85 DRD2 (0.58) DRD2DRD3HRH1HRH3HRH4
SCHEMBL4743808 0.85 HRH4 (0.64) DRD2DRD3HRH1HTR1ADRD1
SCHEMBL4746238 0.81 HRH3 (0.65) HRH1HRH3HRH4MEN1KMT2A
SCHEMBL4743140 0.78 HRH3 (0.65) DRD2HRH1HRH3HRH4MEN1
SCHEMBL7367224 0.77 HRH3 (0.81) HRH3HRH4MEN1KMT2AALDH1A1
SCHEMBL4743300 0.77 HRH3 (0.57) DRD2HRH1HRH3HRH4MEN1
SCHEMBL4745332 0.77 HRH3 (0.57) DRD2HRH1HRH3HRH4MEN1
Hydrochloric Acid SCHEMBL7371901 0.76 HRH3 (0.79) HRH3HRH4MEN1KMT2AALDH1A1
SCHEMBL4747562 0.75 HRH3 (0.55) DRD2HRH1HRH3HRH4MEN1

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 claimed