SCHEMBL9320746

SCHEMBL9320746

CC(CNO)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.64
MTNR1B P49286 11/20 0.64
SLC6A4 P31645 1/20 0.43
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP2D6 P10635 1/20 0.42
ADRB3 P13945 1/20 0.42
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.40

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
Methyl Alcohol SCHEMBL11162488 0.82 MTNR1A (0.62) MTNR1AMTNR1BSLC6A4LMNAADRB2
SCHEMBL13452617 0.82 MTNR1A (0.61) MTNR1AMTNR1BSLC6A4LTA4H
SCHEMBL8854035 0.81 SIGMAR1 (0.48) MTNR1AMTNR1BSLC6A4
SCHEMBL3953294 0.80 MTNR1A (0.59) MTNR1AMTNR1BSLC6A4LMNAADRB2
Hydrochloric Acid SCHEMBL11128673 0.78 MTNR1A (0.57) MTNR1AMTNR1BSLC6A4ADRB2ADRB1
SCHEMBL7566883 0.77 MTNR1A (0.55) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL120055 0.77 MTNR1A (0.55) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL17892031 0.77 MTNR1A (0.55) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL9870637 0.76 MTNR1A (0.53) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL9870647 0.76 MTNR1A (0.53) MTNR1AMTNR1BSLC6A4LMNALTA4H

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
EP-0427480-B1 2-Hydroxy-3-phenoxypropylamino compounds ICI PLC (GB) 1994-01-12 EP disclosed
EP-0427480-A1 2-Hydroxy-3-phenoxypropylamino compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-15 EP disclosed