SCHEMBL7312476

SCHEMBL7312476

C#COCc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.71
ADRB2 P07550 1/20 0.64
ADRB1 P08588 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2C P18825 1/20 0.64
SLC6A4 P31645 1/20 0.64
ADRA1A P35348 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A3 Q01959 1/20 0.64
KCNH2 Q12809 1/20 0.64
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL11259043 0.84 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL8835982 0.84 KMT2A (0.78) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL11884643 0.84 ADRB2 (0.80) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL7318091 0.84 KMT2A (0.71) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL29900715 0.83 ADRB3 (0.79) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL22279157 0.83 ADRB3 (0.79) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL7310568 0.83 KMT2A (0.70) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL10555388 0.82 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL10554140 0.82 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL7320022 0.82 ADRB2 (0.78) KMT2AADRB2ADRB1HTR1AADRA2C

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