SCHEMBL7433425

SCHEMBL7433425

CS(=O)(=O)Nc1ccc2c(c1)OCCN(C1CCCC1)CCO2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 2/20 0.48
POLB P06746 1/20 0.46
LMNA P02545 5/20 0.45
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL17109067 0.81 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPSR1NPC1POLB
SCHEMBL7435039 0.79 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPSR1NPC1GAA
SCHEMBL7435646 0.78 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPSR1NPC1GAA
SCHEMBL7437545 0.76 PKM (0.54) SMN1; SMN2RAB9ANPSR1NPC1GAA
SCHEMBL7440700 0.76 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPSR1NPC1GAA
SCHEMBL7436782 0.75 RAB9A (0.54) SMN1; SMN2RAB9ANPSR1NPC1GAA
SCHEMBL12017944 0.75 MAPT (0.71) SMN1; SMN2RAB9ANPSR1NPC1GAA
SCHEMBL7436206 0.74 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPSR1NPC1POLB
SCHEMBL7441403 0.74 RAB9A (0.65) SMN1; SMN2RAB9ANPSR1NPC1ALDH1A1
SCHEMBL4768254 0.74 MLNR (0.59) HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417671-A2 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1991-03-20 EP claimed
US-4966967-A 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1990-10-30 US claimed
EP-0417671-A2 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1991-03-20 EP disclosed
US-4966967-A 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1990-10-30 US disclosed