SCHEMBL8669507

SCHEMBL8669507

C=CCC(N)C(O)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
SCN4A P35499 3/20 0.46
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2D6 P10635 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC5A2 P31639 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1811045 0.80 LMNA (0.53) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL9564637 0.76 LMNA (0.68) LMNASCN4AMAOAPTGS1CYP2D6
SCHEMBL7268804 0.75 LMNA (0.58) LMNASCN4AMAOAPTGS1CYP2D6
SCHEMBL3909668 0.75 LMNA (0.49) LMNASCN4AMAOAPTGS1CYP2D6
Hydrochloric Acid SCHEMBL7428095 0.74 LMNA (0.56) LMNASCN4AMAOAPTGS1CYP2D6
SCHEMBL851069 0.74 LMNA (0.66) LMNASCN4AMAOAPTGS1CYP2D6
SCHEMBL851067 0.74 LMNA (0.66) LMNASCN4AMAOAPTGS1CYP2D6
SCHEMBL835106 0.74 LMNA (0.66) LMNASCN4AMAOAPTGS1CYP2D6
SCHEMBL5962145 0.73 LMNA (0.46) LMNASCN4AMAOAPTGS1CYP2D6
Sulfuric Acid SCHEMBL11626916 0.73 LMNA (0.46) LMNACYP2D6L3MBTL1ADRB2ADRB1

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-0767778-B1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL beta ADRENERGIC RECEPTOR MARKERS AND AS beta-BLOCKING AGENTS CIS BIO INT (FR) 1998-12-16 EP claimed