SCHEMBL6034947

SCHEMBL6034947

CCN=C=NCCC[N+](C)(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ BBOX1 O75936 1/20 0.35

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
SCHEMBL20451570 0.84 CYP1A2 (0.46) CYP1A2CYP2D6
SCHEMBL64735 0.83 CYP1A2 (0.52) CYP1A2CYP2D6BBOX1
Hydrochloric Acid SCHEMBL4278423 0.81 CYP1A2 (0.50) CYP1A2CYP2D6
Iodide SCHEMBL1092039 0.81 CYP1A2 (0.50) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7707068 0.78 CYP1A2 (0.47) CYP1A2CYP2D6
SCHEMBL15780616 0.78 CYP1A2 (0.47) CYP1A2CYP2D6
SCHEMBL18905760 0.77 NAAA (0.50) BBOX1
Iodide SCHEMBL18889146 0.75 NAAA (0.48) BBOX1
SCHEMBL707889 0.74 CYP1A2 (0.62) CYP1A2CYP2D6
SCHEMBL706895 0.74 CYP1A2 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036073-A1 Neurotrophic and neuroprotective peptides JSW-RESEARCH FORSCHUNGSLABOR GMBH (AT) 2006-02-16 — — US disclosed
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