SCHEMBL7687729

SCHEMBL7687729

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.49
ADRB1 P08588 12/20 0.49
MET P08581 2/20 0.38
EGLN2 Q96KS0 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ADRB2 P07550 2/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CASR P41180 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL7692667 0.94 ADRB3 (0.50) ADRB3ADRB1METADRB2CA12
SCHEMBL7693978 0.93 ADRB3 (0.58) ADRB3ADRB1METADRB2CA12
SCHEMBL7692899 0.93 ADRB3 (0.50) ADRB3ADRB1METEGLN1
SCHEMBL7694489 0.92 ADRB1 (0.51) ADRB3ADRB1METADRB2CYP2D6
SCHEMBL7693508 0.92 ADRB3 (0.49) ADRB3ADRB1METEGLN1
SCHEMBL7692653 0.91 ADRB3 (0.51) ADRB3ADRB1MET
SCHEMBL7695730 0.91 ADRB3 (0.46) ADRB3ADRB1METADRB2CA12
SCHEMBL7689875 0.89 ADRB3 (0.52) ADRB3ADRB1MET
SCHEMBL6479456 0.89 ADRB3 (0.58) ADRB3ADRB1METADRB2
SCHEMBL6479461 0.89 ADRB3 (0.58) ADRB3ADRB1METADRB2

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