SCHEMBL7691872

SCHEMBL7691872

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.49
ADRB1 P08588 10/20 0.49
MET P08581 6/20 0.41
KIT P10721 1/20 0.37
PDGFRA P16234 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

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
SCHEMBL7691897 0.95 ADRB3 (0.48) ADRB3ADRB1METAXLMERTK
SCHEMBL7699516 0.95 ADRB3 (0.50) ADRB3ADRB1MET
SCHEMBL7691759 0.94 ADRB3 (0.47) ADRB3ADRB1MET
SCHEMBL7689088 0.93 ADRB3 (0.47) ADRB3ADRB1METAXLMERTK
SCHEMBL7692485 0.92 ADRB3 (0.48) ADRB3ADRB1METAXLMERTK
SCHEMBL7692653 0.91 ADRB3 (0.51) ADRB3ADRB1METAXLMERTK
SCHEMBL7689875 0.91 ADRB3 (0.52) ADRB3ADRB1METKITPDGFRA
SCHEMBL7688056 0.91 ADRB3 (0.47) ADRB3ADRB1METAXLMERTK
SCHEMBL7693483 0.90 ADRB3 (0.57) ADRB3ADRB1METTDP1
SCHEMBL7693978 0.90 ADRB3 (0.58) ADRB3ADRB1MET

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