SCHEMBL9685616

SCHEMBL9685616

O=c1[nH]c2ccc(CCc3ccccc3)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.60
HTR2C P28335 7/20 0.60
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
PGR P06401 1/20 0.45
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MAPT P10636 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42

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
SCHEMBL27321208 0.87 HTR1A (0.52) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9205683 0.87 HTR1A (0.53) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL7761417 0.82 HTR1A (0.50) HTR1AHTR2CDRD2MAOA
SCHEMBL7332557 0.81 HTR1A (0.51) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9684901 0.81 PDE3B (0.51) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL4882695 0.81 HTR1A (0.51) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL17080919 0.81 HTR1A (0.51) HTR1AHTR2CPDE3BPDE3ADRD2
Bromide SCHEMBL7797195 0.80 HTR1A (0.50) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL1325447 0.79 HTR1A (0.49) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL1324801 0.79 HTR1A (0.49) HTR1AHTR2CPDE3BPDE3ADRD2

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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed