SCHEMBL7315445

SCHEMBL7315445

COCCOCc1ccccc1OCC(O)CNCCc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.56
ADRB1 P08588 13/20 0.56
ADRB2 P07550 11/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL7312955 0.94 ADRB2 (0.57) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7314435 0.93 ADRB3 (0.55) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7311030 0.93 ADRB3 (0.55) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7319624 0.92 KMT2A (0.56) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7309456 0.92 ADRB3 (0.60) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7317896 0.88 ADRB2 (0.56) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7315388 0.88 ADRB2 (0.58) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7305119 0.86 KMT2A (0.50) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7312116 0.85 KMT2A (0.52) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7311038 0.84 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