SCHEMBL8669987

SCHEMBL8669987

CCNN=C=NCCCN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.36
SLC2A1 P11166 1/20 0.30

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
SCHEMBL7568450 0.82 CYP1A2 (0.62) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4869185 0.81 CYP1A2 (0.60) CYP1A2CYP2D6
SCHEMBL97249 0.78 CYP1A2 (0.67) CYP1A2CYP2D6NPSR1
Hydrochloric Acid SCHEMBL251768 0.76 CYP1A2 (0.64) CYP1A2CYP2D6NPSR1
SCHEMBL5494207 0.74 CYP1A2 (0.47) CYP1A2CYP2D6NPSR1
SCHEMBL11269557 0.73 CYP1A2 (0.41) CYP1A2CYP2D6NPSR1
SCHEMBL6650703 0.72
SCHEMBL408946 0.71 NPSR1 (0.40) CYP1A2CYP2D6NPSR1
SCHEMBL988586 0.71 NAAA (0.52) CYP1A2CYP2D6NPSR1
SCHEMBL11592977 0.71 NAAA (0.47) CYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750357-A Method of rapid analyte detection MICROQUEST DIAGNOSTICS, INC. (US) 1998-05-12 US disclosed
WO-1995031730-A1 METHOD OF RAPID ANALYTE DETECTION MICROQUEST DIAGNOSTICS, INC. (US) 1995-11-23 WO disclosed