SCHEMBL11268313

SCHEMBL11268313

COc1ccc(CCCNCC(O)COc2cccc3[nH]ncc23)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2C P18825 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL11269010 0.94 ADRB2 (0.60) ADRB2ADRB1HTR1AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL11255598 0.94 ADRB2 (0.59) ADRB2ADRB1HTR1AADRA2CSLC6A4
Benzoic Acid SCHEMBL11260504 0.93 ADRB2 (0.54) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11266564 0.89 ADRB2 (0.54) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11266551 0.87 ADRB2 (0.51) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11146826 0.86 DRD2 (0.55) ADRB2ADRB1ADRA2CSLC6A4ADRA1A
SCHEMBL11263740 0.85 ADRB3 (0.49) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11260506 0.84 ADRB2 (0.47) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11442184 0.84 KMT2A (0.45) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11266544 0.83 ADRB2 (0.67) ADRB2ADRB1HTR1AADRA2CSLC6A4

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-4346093-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1982-08-24 US disclosed