SCHEMBL9685780

SCHEMBL9685780

CCCCc1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.50
HTR2C P28335 7/20 0.50
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.47
GPR84 Q9NQS5 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 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
SCHEMBL175879 0.95 HTR1A (0.51) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL9684901 0.90 PDE3B (0.51) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL7762986 0.86 HTR1A (0.45) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL6541577 0.84 CMA1 (0.49) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL1325447 0.84 HTR1A (0.49) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL1324801 0.84 HTR1A (0.49) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL9204486 0.83 MAPT (0.59) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL8114295 0.83 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL8786271 0.83 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL9684052 0.83 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT

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