SCHEMBL8769449

SCHEMBL8769449

CCC(C)OC(=O)N1CC=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.43
P2RX1 P51575 3/20 0.40
P2RX3 P56373 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
P2RX7 Q99572 2/20 0.40
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.36
NOTUM Q6P988 1/20 0.33
BCHE P06276 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33

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
SCHEMBL6110761 0.86 P2RX4 (0.46) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL22264116 0.85 P2RX4 (0.41) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL205655 0.82 SMN1; SMN2 (0.53) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL29549990 0.82 SMN1; SMN2 (0.53) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL8768858 0.81 P2RX4 (0.43) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL6110401 0.80 P2RX4 (0.64) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL27785934 0.79 P2RX4 (0.58) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL6110992 0.78 SMN1; SMN2 (0.44) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL3719677 0.76 BCHE (0.50) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL411007 0.75 SMN1; SMN2 (0.44) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7

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
EP-0793967-A2 Conjugated compounds of bile acids with thiotaurine and its N-alkyl derivatives PRODOTTI CHIMICI E ALIMENTARI SPA (IT) 1997-09-10 EP disclosed