SCHEMBL4201460

SCHEMBL4201460

NC(N)CC1CNCCO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 8/20 0.37
HTR2A P28223 4/20 0.37
HTR2B P41595 2/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA2C P18825 1/20 0.37
HRH1 P35367 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL990336 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL11802556 0.81 HTR2A (0.40) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL4796086 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL9973633 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL299793 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL28847999 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL9057558 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
Hydrochloric Acid SCHEMBL9055032 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL7294176 0.77 HTR2A (0.34) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL28904441 0.77 HTR2A (0.37) SLC6A2SLC6A4SLC6A3HTR2AHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed