SCHEMBL9330604

SCHEMBL9330604

CC(C)(CO)NCC(O)COc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.66
ADRB2 P07550 5/20 0.64
NR2E1 Q9Y466 5/20 0.64
ADRB1 P08588 4/20 0.64
SIGMAR1 Q99720 4/20 0.64
CYP1A2 P05177 4/20 0.64
SLC6A4 P31645 3/20 0.64
HTR2B P41595 3/20 0.64
ALDH1A1 P00352 3/20 0.64
ADRB3 P13945 3/20 0.64
HTR2A P28223 3/20 0.64
HTR2C P28335 3/20 0.64
HTR6 P50406 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 3/20 0.64
SCN1A P35498 2/20 0.64
SLC10A1 Q14973 2/20 0.64
SCN2A Q99250 2/20 0.64
SCN3A Q9NY46 2/20 0.64
HTR1A P08908 2/20 0.64

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
SCHEMBL11227323 0.88 ADRB2 (0.69) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
SCHEMBL7274432 0.88 CYP2D6 (0.64) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
Hydrochloric Acid SCHEMBL11234328 0.87 ADRB2 (0.70) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
SCHEMBL8230138 0.87 ADRB2 (0.67) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
SCHEMBL5509977 0.86 CYP2D6 (0.69) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
SCHEMBL11143271 0.86 CYP2D6 (0.65) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
SCHEMBL11137275 0.83 CYP2D6 (0.65) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
SCHEMBL11137311 0.83 CYP2D6 (0.65) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
SCHEMBL14382940 0.83 CYP2D6 (0.65) CYP2D6ADRB2NR2E1ADRB1SIGMAR1
SCHEMBL11223419 0.83 ADRB2 (0.62) CYP2D6ADRB2ADRB1CYP1A2HTR2B

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-0587823-A1 USING THE IMMUNOACTIVATING ACTIVITY OF 3-NAPHTHYLOXY-2-HYDROXY-PROPYLAMINES, IN PARTICULAR FOR PROVIDING CELL IMMUNITY, E.G. AGAINST VIRAL INFECTIONS PEUSCHEL, Karin, Elisabeth (CH) 1994-03-23 EP disclosed
WO-1993013049-A1 USING THE IMMUNOACTIVATING ACTIVITY OF 3-NAPHTHYLOXY-2-HYDROXY-PROPYLAMINES, IN PARTICULAR FOR PROVIDING CELL IMMUNITY, E.G. AGAINST VIRAL INFECTIONS PEUSCHEL KARIN ELISABETH (CH) 1993-07-08 WO disclosed