SCHEMBL20340764

SCHEMBL20340764

C=COC[C@H](N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.55
TACR1 P25103 6/20 0.45
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL4169446 0.81 CA12 (0.42) SCN4A
SCHEMBL3121103 0.79 CA12 (0.41) SCN4A
SCHEMBL2980808 0.78 SCN4A (0.53) SCN4ATACR1CACNA1FCACNA1DCACNA1S
SCHEMBL2782707 0.78 SCN4A (0.68) SCN4ATACR1CACNA1FCACNA1DCACNA1S
SCHEMBL791984 0.77 SCN4A (0.61) SCN4ATACR1
SCHEMBL57799 0.77 SCN4A (0.61) SCN4ATACR1
SCHEMBL1419721 0.77 SCN4A (0.61) SCN4ATACR1
SCHEMBL22051985 0.76 SCN4A (0.65) SCN4ATACR1
Hydrochloric Acid SCHEMBL22229209 0.75 SCN4A (0.59) SCN4ATACR1
Hydrochloric Acid SCHEMBL7757109 0.75 SCN4A (0.59) SCN4ATACR1

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-10012627-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2018-07-03 US disclosed