SCHEMBL7315986

SCHEMBL7315986

C=CCOCc1ccc(OCC(O)CNCCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.62
ADRB1 P08588 17/20 0.62
ADRB2 P07550 8/20 0.62
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL7312172 0.89 ADRB3 (0.55) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL15275450 0.84 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7306021 0.83 ADRB2 (0.54) ADRB3ADRB1ADRB2MEN1MAPK1
SCHEMBL7313756 0.83 KMT2A (0.68) ADRB1ADRB2KMT2A
Hydrochloric Acid SCHEMBL7305120 0.83 KMT2A (0.70) ADRB1ADRB2KMT2A
SCHEMBL7558367 0.82 ADRB3 (0.82) ADRB3ADRB1ADRB2
SCHEMBL7558376 0.82 ADRB3 (0.82) ADRB3ADRB1ADRB2
SCHEMBL7316623 0.82 CASR (0.66) ADRB3ADRB2
SCHEMBL27478454 0.82 ADRB1 (0.78) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7312146 0.81 ADRB3 (0.69) ADRB3ADRB1ADRB2MEN1MAPK1

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