SCHEMBL4622137

SCHEMBL4622137

O=C(c1ccc(OCCCN2CC3CCCC3C2)cc1)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.66
DRD2 P14416 1/20 0.55
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50

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
Oxalic Acid SCHEMBL4483634 0.97 HRH3 (0.62) HRH3DRD2MEN1ALDH1A1KMT2A
SCHEMBL4619979 0.90 HRH3 (0.70) HRH3DRD2HPGDMEN1ALDH1A1
SCHEMBL4621668 0.90 HRH3 (0.70) HRH3DRD2HPGDMEN1ALDH1A1
SCHEMBL4622331 0.88 HRH3 (0.75) HRH3DRD2HPGDMEN1ALDH1A1
SCHEMBL4482326 0.88 HRH3 (0.67) HRH3DRD2HPGDMEN1ALDH1A1
Oxalic Acid SCHEMBL4498003 0.87 HRH3 (0.66) HRH3DRD2HPGDMEN1ALDH1A1
SCHEMBL4622153 0.87 HRH3 (0.70) HRH3DRD2HRH2HRH1
SCHEMBL4621549 0.87 HRH3 (0.66) HRH3DRD2HPGDMEN1ALDH1A1
Oxalic Acid SCHEMBL4508710 0.87 HRH3 (0.66) HRH3DRD2HPGDMEN1ALDH1A1
Oxalic Acid SCHEMBL4495423 0.85 HRH3 (0.70) HRH3DRD2HPGDALDH1A1SMN1; SMN2

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
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed