SCHEMBL4622153

SCHEMBL4622153

O=C(c1ccc(OCCCN2CC3CCCC3C2)cc1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.70
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
ADRA2C P18825 1/20 0.62
CHRM3 P20309 1/20 0.62
DRD4 P21917 1/20 0.62
SLC6A2 P23975 1/20 0.62
HRH2 P25021 1/20 0.62
SLC6A4 P31645 1/20 0.62
HRH1 P35367 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HRH4 Q9H3N8 1/20 0.62
DRD2 P14416 1/20 0.55

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 SCHEMBL4486834 0.97 HRH3 (0.66) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL4619979 0.90 HRH3 (0.70) HRH3DRD2
SCHEMBL4621668 0.90 HRH3 (0.70) HRH3DRD2
SCHEMBL4622331 0.88 HRH3 (0.75) HRH3DRD2
SCHEMBL4482326 0.88 HRH3 (0.67) HRH3DRD2
SCHEMBL29659792 0.87 HRH3 (0.61) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL29659739 0.87 HRH3 (0.61) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL4621549 0.87 HRH3 (0.66) HRH3DRD2
SCHEMBL4622137 0.87 HRH3 (0.66) HRH3HRH2HRH1DRD2
Oxalic Acid SCHEMBL4508710 0.87 HRH3 (0.66) HRH3DRD2

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
CN-111377911-B Morpholine benzamide compound and application thereof 江苏恩华药业股份有限公司 2022-05-24 CN disclosed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed