SCHEMBL9684901

SCHEMBL9684901

CCCc1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.51
PDE3A Q14432 3/20 0.51
HTR1A P08908 8/20 0.51
HTR2C P28335 7/20 0.51
MAPT P10636 1/20 0.50
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
PGR P06401 1/20 0.43
CMA1 P23946 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL9685780 0.90 HTR1A (0.50) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL175879 0.89 HTR1A (0.51) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9204486 0.86 MAPT (0.59) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL8947871 0.85 DRD2 (0.48) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL7332557 0.83 HTR1A (0.51) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL4882695 0.83 HTR1A (0.51) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL17080919 0.83 HTR1A (0.51) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL7762986 0.82 HTR1A (0.45) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9658547 0.82 HTR1A (0.48) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9685616 0.81 HTR1A (0.60) PDE3BPDE3AHTR1AHTR2CMAPT

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