SCHEMBL11378147

SCHEMBL11378147

COc1ccccc1OCC(O)CN1CCC(NC(=O)Nc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 7/20 0.57
SCN1A P35498 6/20 0.57
SCN9A Q15858 6/20 0.57
DRD3 P35462 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ADRA1A P35348 1/20 0.55
HTR2B P41595 1/20 0.55
KCNH2 Q12809 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 2/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL5347764 0.87 SCN5A (0.73) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL5353202 0.87 SCN5A (0.73) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL14429593 0.86 SCN5A (0.59) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL13932644 0.86 SCN5A (0.59) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL11372744 0.86 SCN5A (0.66) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL4340211 0.82 SCN5A (0.55) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL11373680 0.82 SCN5A (0.58) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL11373148 0.82 SCN5A (0.58) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL11470100 0.82 SCN5A (0.52) SCN5ASCN1ASCN9ADRD3CYP3A4
SCHEMBL7291659 0.81 CYP2D6 (0.76) SCN5ADRD3CYP3A4CYP2D6TSHR

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-4281132-A HYPOTENSIVE JOHN WYETH & BROTHER LIMITED (GB) 1981-07-28 US disclosed