SCHEMBL10554140

SCHEMBL10554140

COc1ccc(CCNC[C@H](O)COc2ccc(C=O)cc2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
ADRB2 P07550 1/20 0.67
ADRB1 P08588 1/20 0.67
HTR1A P08908 1/20 0.67
ADRA2C P18825 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
HTR2B P41595 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KCNH2 Q12809 1/20 0.67
KDM4E B2RXH2 1/20 0.66
ATM Q13315 1/20 0.62
MEN1 O00255 1/20 0.62

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
SCHEMBL10555388 1.00 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL8835982 0.87 KMT2A (0.78) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL11884643 0.86 ADRB2 (0.80) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL7287594 0.85 KMT2A (0.66) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL11259043 0.85 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL3440519 0.85 KMT2A (0.63) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL3440520 0.85 KMT2A (0.63) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL10556943 0.84 KMT2A (0.53) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL10556948 0.84 KMT2A (0.53) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL8790970 0.84 KMT2A (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853383-A β-blocking substituted imidazoles MERCK & CO., INC. (US) 1989-08-01 US disclosed
US-4642311-A β-adrenergic blocking imidazolylphenoxy propanolamines MERCK & CO., INC. (US) 1987-02-10 US disclosed
US-4567276-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1986-01-28 US disclosed
US-4440774-A ANTIHYPERTENSIVE AGENTS AND B-ANDRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1984-04-03 US disclosed