SCHEMBL8411966

SCHEMBL8411966

CCCN1C(N2CCN(c3cccc(OC)c3)CC2)C2(OCCO2)c2ccccc2S1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
HTR7 P34969 5/20 0.43
HTR1A P08908 5/20 0.43
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8411972 0.91 DRD2 (0.43) DRD2HTR7HTR1AHTR2AALDH1A1
SCHEMBL8412306 0.88 HTR7 (0.41) DRD2HTR7POLBSMN1; SMN2ALDH1A1
SCHEMBL8519203 0.83 DRD2 (0.39) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL8413058 0.83 HTR7 (0.36) DRD2HTR7SMN1; SMN2ALDH1A1MAPT
SCHEMBL8412316 0.82 MEN1 (0.39) DRD2ALDH1A1MAPT
SCHEMBL8411551 0.82 MEN1 (0.39) DRD2HTR7HTR1AHTR2AALDH1A1
SCHEMBL8413215 0.81 HTR1A (0.38) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL8410568 0.81 HSD17B10 (0.38) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL8413390 0.80 ADRB1 (0.37) HTR7ALDH1A1
SCHEMBL8413541 0.80 HTR7 (0.39) DRD2HTR7HTR1AHTR2AHTR6

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