SCHEMBL7317744

SCHEMBL7317744

C=CCOCc1ccccc1OCC(O)CNC(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.74
ADRB1 P08588 12/20 0.74
LMNA P02545 3/20 0.74
CYP2D6 P10635 3/20 0.74
HTR1A P08908 2/20 0.74
SLC6A4 P31645 2/20 0.74
ADRA1A P35348 2/20 0.74
CYP1A2 P05177 2/20 0.74
ADRB3 P13945 2/20 0.74
ADRA2C P18825 1/20 0.74
SLC6A2 P23975 1/20 0.74
BDKRB2 P30411 1/20 0.74
HTR2B P41595 1/20 0.74
KCNH2 Q12809 1/20 0.74
TSHR P16473 1/20 0.74
NFKB1 P19838 1/20 0.74
SLC22A1 O15245 1/20 0.73
HTR2A P28223 1/20 0.73
KDM4E B2RXH2 1/20 0.72
PMP22 Q01453 1/20 0.72

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
SCHEMBL7312061 0.94 ADRB2 (0.69) ADRB2ADRB1LMNACYP2D6HTR1A
SCHEMBL11512576 0.90 ADRB2 (0.60) ADRB2ADRB1LMNACYP2D6HTR1A
Alprenolol SCHEMBL34636 0.85 ADRB2 (1.00) ADRB2ADRB1LMNACYP2D6HTR1A
Alprenolol SCHEMBL34637 0.85 ADRB2 (1.00) ADRB2ADRB1LMNACYP2D6HTR1A
Alprenolol SCHEMBL29414120 0.85 ADRB2 (1.00) ADRB2ADRB1LMNACYP2D6HTR1A
Alprenolol SCHEMBL29355107 0.85 ADRB2 (1.00) ADRB2ADRB1LMNACYP2D6HTR1A
Alprenolol SCHEMBL4538381 0.85 ADRB2 (1.00) ADRB2ADRB1LMNACYP2D6HTR1A
Alprenolol SCHEMBL6508231 0.85 ADRB2 (1.00) ADRB2ADRB1LMNACYP2D6HTR1A
Oxprenolol SCHEMBL16310 0.85 ADRB2 (1.00) ADRB2ADRB1LMNACYP2D6HTR1A
Oxprenolol SCHEMBL16311 0.85 ADRB2 (1.00) ADRB2ADRB1LMNACYP2D6HTR1A

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-4258062-A ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-03-24 US disclosed
US-4171370-A Phenoxy-amino-propanols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-10-16 US disclosed