SCHEMBL6239033

SCHEMBL6239033

COC(=O)c1cnc(Oc2ccc(CCNC(C(=O)OC(C)(C)C)[C@H](O)c3cccc(Cl)c3)cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.44
ADRB1 P08588 10/20 0.44
LMNA P02545 1/20 0.38
ACACB O00763 1/20 0.37
P2RX3 P56373 1/20 0.37
SLC2A1 P11166 1/20 0.35
GLA P06280 1/20 0.35
ADRB2 P07550 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
SCHEMBL6243522 0.88 ADRB3 (0.53) ADRB3ADRB1SLC2A1
SCHEMBL6243606 0.83 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6682292 0.81 ADRB3 (0.48) ADRB3ADRB1P2RX3SLC2A1ADRB2
SCHEMBL6244119 0.81 ADRB3 (0.61) ADRB3ADRB1SLC2A1GLAADRB2
SCHEMBL4459786 0.80 ADRB3 (0.43) ADRB3ADRB1LMNAACACBSLC2A1
SCHEMBL4459790 0.80 ADRB3 (0.43) ADRB3ADRB1LMNAACACBSLC2A1
SCHEMBL6241388 0.77 ADRB3 (0.42) ADRB3ADRB1SLC2A1ADRB2
SCHEMBL6677317 0.76 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL6247026 0.76 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL6680863 0.76 ADRB3 (0.47) ADRB3ADRB1LMNAP2RX3

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-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed