SCHEMBL7314435

SCHEMBL7314435

COCCOCc1ccccc1OCC(O)CNCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.55
ADRB1 P08588 9/20 0.55
ADRB2 P07550 9/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TRPV6 Q9H1D0 1/20 0.48
HTR1A P08908 1/20 0.46

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
SCHEMBL7315445 0.93 ADRB3 (0.56) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7312955 0.93 ADRB2 (0.57) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7311030 0.92 ADRB3 (0.55) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7319624 0.91 KMT2A (0.56) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7309456 0.91 ADRB3 (0.60) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7315388 0.87 ADRB2 (0.58) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7317896 0.85 ADRB2 (0.56) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7305119 0.85 KMT2A (0.50) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7312116 0.84 KMT2A (0.52) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7311038 0.83 ADRB2 (0.56) ADRB3ADRB1ADRB2KMT2AMEN1

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