SCHEMBL9755867

SCHEMBL9755867

O=[N+]([O-])C1CNCCN1c1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HTR3E A5X5Y0 4/20 0.51
HTR3B O95264 4/20 0.51
HTR3A P46098 4/20 0.51
HTR3D Q70Z44 4/20 0.51
HTR3C Q8WXA8 4/20 0.51
CYP3A4 P08684 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 3/20 0.51
HSD17B10 Q99714 2/20 0.51
SLC6A4 P31645 2/20 0.51
PMP22 Q01453 2/20 0.51
USP2 O75604 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51
MAPK1 P28482 1/20 0.51
HTR7 P34969 1/20 0.51
HTT P42858 1/20 0.51
HTR6 P50406 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
SCHEMBL5746436 0.78 KDM4E (0.57) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6766547 0.78 HTR2C (0.57) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL16087143 0.78 KDM4E (0.57) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2113970 0.76 SLC6A2 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9010420 0.75 KDM4E (0.55) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4573662 0.75 KDM4E (0.55) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7092174 0.73 CYP1A2 (0.37) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11081509 0.72 KDM4E (0.48) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL946091 0.72 KDM4E (0.50) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL946093 0.72 KDM4E (0.50) ALDH1A1HTR3EHTR3BHTR3AHTR3D

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
JP-3199969-A None JP disclosed
JP-H03199969-A METHOD FOR MEASURING RETAKING PART OF SEROTONIN AND RADIO LIGAND USED IN THIS METHOD DAI ICHI PURE CHEM CO LTD 1991-08-30 JP disclosed