SCHEMBL9449665

SCHEMBL9449665

CCCCCN1CCN(CCCCc2ccc3c(c2)SCC(=O)N3)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
MAOA P21397 5/20 0.48
SIGMAR1 Q99720 2/20 0.47
EPHX2 P34913 1/20 0.47
HTR1A P08908 4/20 0.46
DRD2 P14416 4/20 0.46
HTR2A P28223 4/20 0.46
DRD4 P21917 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL9449443 0.95 SIGMAR1 (0.53) MAOBMAOASIGMAR1EPHX2HTR1A
SCHEMBL8785948 0.82 HTR1A (0.56) SIGMAR1HTR1ADRD2HTR2ADRD4
SCHEMBL8787203 0.81 HTR1A (0.65) HTR1ADRD2HTR2C
SCHEMBL9659923 0.78 HTR1A (0.65) SIGMAR1HTR1ADRD2HTR2AHTR2C
SCHEMBL8787679 0.78 DRD2 (0.53) SIGMAR1HTR1ADRD2HTR2ADRD4
SCHEMBL10863549 0.77 DRD2 (0.56) MAOBMAOASIGMAR1HTR1ADRD2
SCHEMBL8789687 0.76 MAOB (0.42) MAOBMAOAEPHX2
SCHEMBL13266979 0.76 EPHX2 (0.63) MAOBMAOAEPHX2
SCHEMBL10863914 0.74 HTR1A (0.62) HTR1ADRD2HTR2ADRD4HTR2C
SCHEMBL8785694 0.74 MAOB (0.55) MAOBMAOAEPHX2HTR1ADRD2

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
US-5234924-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-08-10 US claimed