SCHEMBL7688963

SCHEMBL7688963

CCN(C)C(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)NC[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.49
ADRB1 P08588 10/20 0.49
MET P08581 5/20 0.38
HTT P42858 1/20 0.37
AXL P30530 2/20 0.36
MERTK Q12866 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL7691859 0.92 ADRB3 (0.49) ADRB3ADRB1METAXLTDP1
SCHEMBL7692398 0.90 ADRB3 (0.45) ADRB3ADRB1MET
SCHEMBL7689615 0.90 ADRB3 (0.46) ADRB3ADRB1METHTTAXL
Hydrochloric Acid SCHEMBL7686435 0.90 ADRB3 (0.44) ADRB3ADRB1MET
SCHEMBL6479461 0.89 ADRB3 (0.58) ADRB3ADRB1METAXLMERTK
SCHEMBL6479456 0.89 ADRB3 (0.58) ADRB3ADRB1METAXLMERTK
SCHEMBL6478782 0.88 ADRB3 (0.51) ADRB3ADRB1METAXL
SCHEMBL6478777 0.88 ADRB3 (0.51) ADRB3ADRB1METAXL
SCHEMBL7692653 0.88 ADRB3 (0.51) ADRB3ADRB1METAXLMERTK
SCHEMBL7689875 0.88 ADRB3 (0.52) ADRB3ADRB1METAXLMERTK

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed