SCHEMBL9509913

SCHEMBL9509913

NCCC(CCN)C(O)=S

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.36
CPB2 Q96IY4 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL9506133 0.89 CPB2 (0.45) GABRR1CPB2HRH1
SCHEMBL9508383 0.87 CPB2 (0.45) CPB2
SCHEMBL5597641 0.87 CHRM1 (0.42) GABRR1HRH1
SCHEMBL11061351 0.69 CHRM1 (0.52) HRH1
SCHEMBL1371975 0.69 GABRR1 (0.55) GABRR1CPB2HRH1
SCHEMBL30608931 0.66
SCHEMBL3784895 0.65
SCHEMBL21315600 0.65
SCHEMBL10585376 0.65
Hydrochloric Acid SCHEMBL27582376 0.65 GABRR1 (0.50) GABRR1CPB2HRH1

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
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed