SCHEMBL9499669

SCHEMBL9499669

BrCCCCc1ccc(N2CC[N]CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
S1PR1 P21453 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A4 P31645 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CHKA P35790 1/20 0.34

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
SCHEMBL7510335 0.83 SIGMAR1 (0.43) SIGMAR1HTR1ADRD2HTR2ADRD3
SCHEMBL9579491 0.82 SIGMAR1 (0.36) SIGMAR1HTR1ADRD2HTR2ADRD3
SCHEMBL9503394 0.82 SIGMAR1 (0.43) SIGMAR1HTR1ADRD2HTR2ADRD3
SCHEMBL9501966 0.82 S1PR1 (0.58) HTR2AS1PR1HTR2CSLC6A4
SCHEMBL7506901 0.81 S1PR1 (0.50) S1PR1
SCHEMBL9579338 0.80 HTR7 (0.41) SIGMAR1L3MBTL3L3MBTL1
SCHEMBL9579345 0.77 MGLL (0.44) SIGMAR1DRD2S1PR1CHKA
SCHEMBL10488261 0.74 GSK3B (0.46) SIGMAR1L3MBTL3L3MBTL1FFAR4
SCHEMBL10465456 0.73 HRH3 (0.47) SIGMAR1TMEM97L3MBTL3L3MBTL1HTR2C
SCHEMBL9499633 0.73 KDM4E (0.52) HTR2AL3MBTL1

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-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US disclosed
EP-0273444-A2 Use of carboxamide compounds for the preparation of a medicament for treating hyperlipidemia OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-06 EP disclosed