SCHEMBL9330581

SCHEMBL9330581

OC(COc1ccc2ccccc2c1)CN1CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
ACE2 Q9BYF1 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
ATM Q13315 1/20 0.73
KDM4E B2RXH2 3/20 0.73
TSHR P16473 3/20 0.72
CYP2D6 P10635 2/20 0.72
HIF1A Q16665 1/20 0.72
CYP2C19 P33261 1/20 0.71
ADORA2A P29274 1/20 0.69
MAPT P10636 1/20 0.67
RAB9A P51151 1/20 0.66
HSD17B10 Q99714 1/20 0.66
POLB P06746 2/20 0.65
ABCB1 P08183 4/20 0.63
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62

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
SCHEMBL31302688 1.00 SMN1; SMN2 (0.74) SMN1; SMN2ACE2NPSR1ATMKDM4E
SCHEMBL4580492 0.93 KDM4E (0.82) SMN1; SMN2ACE2NPSR1ATMKDM4E
SCHEMBL16392405 0.86 SMN1; SMN2 (0.97) SMN1; SMN2KDM4ETSHRCYP2C19MAPT
SCHEMBL4579674 0.86 SMN1; SMN2 (0.97) SMN1; SMN2KDM4ETSHRCYP2C19MAPT
SCHEMBL6697306 0.86 SMN1; SMN2 (0.71) SMN1; SMN2ACE2NPSR1ATMKDM4E
SCHEMBL24323728 0.86 SMN1; SMN2 (0.71) SMN1; SMN2ACE2NPSR1ATMKDM4E
SCHEMBL16392457 0.86 SMN1; SMN2 (0.97) SMN1; SMN2KDM4ETSHRCYP2C19MAPT
SCHEMBL16370963 0.86 SMN1; SMN2 (0.71) SMN1; SMN2ACE2NPSR1ATMKDM4E
SCHEMBL16371128 0.86 KDM4E (0.77) SMN1; SMN2NPSR1KDM4ETSHRMAPT
SCHEMBL22875771 0.85 ACE2 (1.00) SMN1; SMN2ACE2NPSR1ATMKDM4E

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