SCHEMBL4622331

SCHEMBL4622331

O=C(c1ccc(OCCCN2CC3CCCC3C2)cc1)N1CC2CCCC2C1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.75
DRD2 P14416 1/20 0.55
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAOB P27338 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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 SCHEMBL4495423 0.96 HRH3 (0.70) HRH3DRD2HPGDALDH1A1MAOB
SCHEMBL4621668 0.91 HRH3 (0.70) HRH3DRD2HPGDALDH1A1MAOB
SCHEMBL4619979 0.91 HRH3 (0.70) HRH3DRD2HPGDALDH1A1MAOB
SCHEMBL29659753 0.90 ALDH1A1 (0.69) HRH3DRD2HPGDALDH1A1MEN1
SCHEMBL4482326 0.89 HRH3 (0.67) HRH3DRD2HPGDALDH1A1MEN1
Oxalic Acid SCHEMBL4508710 0.88 HRH3 (0.66) HRH3DRD2HPGDALDH1A1MAOB
SCHEMBL4621549 0.88 HRH3 (0.66) HRH3DRD2HPGDALDH1A1MEN1
SCHEMBL4622137 0.88 HRH3 (0.66) HRH3DRD2HPGDALDH1A1MEN1
SCHEMBL4621593 0.88 HRH3 (0.66) HRH3DRD2MAOB
Oxalic Acid SCHEMBL4498003 0.88 HRH3 (0.66) HRH3DRD2HPGDALDH1A1MAOB

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