SCHEMBL7608345

SCHEMBL7608345

CCCCS(=O)(=O)Nc1cc(C(CO)NCC(c2ccc(O)cc2)c2ccc(O)cc2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 17/20 0.41
▸ PGAM1 P18669 1/20 0.40
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38

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
SCHEMBL7605099 0.91 ADRB3 (0.44) ADRB3ADRB2ADRB1
SCHEMBL7605278 0.85 ADRB3 (0.55) ADRB3
SCHEMBL7606095 0.83 ADRB3 (0.40) ADRB3ADRB2ADRB1
SCHEMBL7608333 0.83 ADRB3 (0.51) ADRB3ADRB2
SCHEMBL7605235 0.83 ADRB3 (0.42) ADRB3
SCHEMBL7612200 0.83 ADRB3 (0.42) ADRB3
SCHEMBL7612525 0.81 GAA (0.50) ADRB3
SCHEMBL7615172 0.76 ADRB3 (0.51) ADRB3
SCHEMBL7610807 0.75 ADRB3 (0.58) ADRB3
SCHEMBL7252599 0.74 ADRB3 (0.69) ADRB3

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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 — — EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 — — WO disclosed
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