SCHEMBL8413541

SCHEMBL8413541

CCCN1C(N2CCN(c3ccccn3)CC2)C2(OCCO2)c2ccccc2S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.39
HTR1A P08908 4/20 0.39
DRD2 P14416 4/20 0.39
HTR2A P28223 4/20 0.39
HTR6 P50406 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8413215 0.91 HTR1A (0.38) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8519203 0.83 DRD2 (0.39) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8413058 0.83 HTR7 (0.36) HTR7DRD2KDM4EALDH1A1MAPT
SCHEMBL8410575 0.83 HTR7 (0.38) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8410568 0.82 HSD17B10 (0.38) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8411972 0.81 DRD2 (0.43) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL8412306 0.81 HTR7 (0.41) HTR7DRD2KDM4EALDH1A1MAPT
SCHEMBL8411966 0.80 DRD2 (0.47) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8413390 0.80 ADRB1 (0.37) HTR7ALDH1A1
SCHEMBL8412315 0.78 HTR7 (0.39) HTR7HTR1ADRD2HTR2AHTR6

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-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed