SCHEMBL9684052

SCHEMBL9684052

O=c1[nH]c2ccc(CCCCCl)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.48
HTR2C P28335 7/20 0.48
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PGR P06401 2/20 0.43
CMA1 P23946 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
MAPT P10636 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL1325447 0.95 HTR1A (0.49) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL17080919 0.89 HTR1A (0.51) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL8114295 0.84 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL9684200 0.84 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL8786271 0.84 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL175879 0.84 HTR1A (0.51) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL9164783 0.83 HTR1A (0.47) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL1324801 0.83 HTR1A (0.49) HTR1AHTR2CPDE3BPDE3APGR
SCHEMBL9685780 0.83 HTR1A (0.50) HTR1AHTR2CPDE3BPDE3ADRD2
SCHEMBL7767398 0.82 PDE3B (0.50) HTR1AHTR2CPDE3BPDE3APGR

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