SCHEMBL7693407

SCHEMBL7693407

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADRB2 P07550 2/20 0.44

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
Hydrochloric Acid SCHEMBL7687543 0.86 MEN1 (0.49) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL7693895 0.84 ADRB1 (0.47) ADRB1ADRB3
SCHEMBL7691992 0.83 ADRB1 (0.49) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL7691995 0.83 ADRB1 (0.49) ADRB1ADRB3MEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL7691500 0.83 ADRB1 (0.47) ADRB1ADRB3
SCHEMBL7693347 0.82 MET (0.35) ADRB1ADRB3
SCHEMBL7694546 0.81 ADRB3 (0.56) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL7694548 0.81 ADRB3 (0.56) ADRB1ADRB3MEN1KMT2AADRB2
SCHEMBL7692443 0.80 ADRB1 (0.48) ADRB1ADRB3
SCHEMBL7688923 0.78 MAPT (0.38)

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