SCHEMBL11543785

SCHEMBL11543785

NC(=O)c1ccc(OCCNCC(O)COc2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.56
ADRB1 P08588 4/20 0.56
CYP1A2 P05177 1/20 0.56
ADRB3 P13945 1/20 0.56
ATM Q13315 1/20 0.54
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP10 Q53GL7 1/20 0.47
CASR P41180 1/20 0.47
ABCB1 P08183 3/20 0.47

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
SCHEMBL11545485 0.92 ADRB2 (0.51) ADRB2ADRB1CYP1A2ADRB3ATM
Tolamolol SCHEMBL611643 0.87 ATM (0.59) ADRB2ADRB1CYP1A2ADRB3ATM
Tolamolol SCHEMBL613511 0.87 ATM (0.59) ADRB2ADRB1CYP1A2ADRB3ATM
Tolamolol SCHEMBL8057907 0.86 ATM (0.58) ADRB2ADRB1CYP1A2ADRB3ATM
SCHEMBL11545703 0.85 ADRB1 (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL11543752 0.85 ATM (0.55) ADRB2ADRB1CYP1A2ADRB3ATM
SCHEMBL10713962 0.85 ADRB2 (0.56) ADRB2ADRB1CYP1A2ADRB3ATM
SCHEMBL11541226 0.83 ADRB2 (0.64) ADRB2ADRB1CYP1A2ADRB3ATM
SCHEMBL11550848 0.83 CYP3A4 (0.54) ADRB2ADRB1CYP1A2ADRB3ATM
SCHEMBL11544543 0.82 CYP3A4 (0.58) ADRB2ADRB1CYP1A2ADRB3ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4165384-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS AKTIEBOLAGET HASSLE (SE) 1979-08-21 US disclosed