SCHEMBL19100477

SCHEMBL19100477

OCCCNC[C@H]1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
SLC6A1 P30531 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRB2 P47870 2/20 0.46
SLC6A12 P48065 2/20 0.46
SLC6A11 P48066 2/20 0.46
SLC6A13 Q9NSD5 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRR1 P24046 1/20 0.46
GABRA4 P48169 1/20 0.46
SAT1 P21673 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
SMYD3 Q9H7B4 2/20 0.32

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
SCHEMBL9687891 0.88 SLC6A1 (0.48) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL8135765 0.81 GNAO1 (0.75) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL15700835 0.81 GNAI3 (0.69) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL10688701 0.78 SLC6A1 (0.47) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL6968840 0.78 GNAI3 (0.56) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL25582070 0.78 GNAI3 (0.56) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL5963013 0.77 GNAI3 (0.75) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL3427404 0.77
SCHEMBL1431005 0.75
SCHEMBL669897 0.75 GNAI3 (0.56) GNAI3GNAO1GNAI1SLC6A1GABRA5

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
EP-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 EP disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed