SCHEMBL9547463

SCHEMBL9547463

CCOC(=N)c1ccc(OCCCCCOc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
MAPT P10636 2/20 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
SCHEMBL14280106 0.86 MAOB (0.58) MAOBLMNAL3MBTL1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9547438 0.85 LMNA (0.53) ADRA1ALMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL26633553 0.84 MAOB (0.56) MAOBLMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL9547470 0.82 F2 (0.65) ADRA1A
SCHEMBL7213360 0.79 TP53 (0.59) ADRA1ALMNANPC1RAB9AMAPT
SCHEMBL20333167 0.79 PRMT1 (0.53) ADRA1A
SCHEMBL9547440 0.78 ALDH1A1 (0.55) ADRA1ALMNAPOLBNPC1RAB9A
SCHEMBL8994969 0.77 PRMT1 (0.51) ADRA1A
SCHEMBL3743320 0.77 GAA (0.51) RAB9ALTA4H
SCHEMBL8994951 0.77 DRD2 (0.56) LMNAL3MBTL1SMN1; SMN2MAPT

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
US-5246965-A Leukotriene antagonist CIBA-GEIGY (US) 1993-09-21 US disclosed
EP-0518818-A2 Arylethers, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed