SCHEMBL6675752

SCHEMBL6675752

O=C(O)c1ccccc1Oc1cccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.42
LPAR5 Q9H1C0 1/20 0.42
ADRB3 P13945 16/20 0.41
ADRB1 P08588 12/20 0.41
LPAR3 Q9UBY5 1/20 0.38
CCR2 P41597 1/20 0.38
KCNH2 Q12809 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
SCHEMBL6675747 1.00 LPAR1 (0.42) LPAR1LPAR5ADRB3ADRB1LPAR3
SCHEMBL6682221 0.96 LPAR1 (0.43) LPAR1LPAR5ADRB3ADRB1LPAR3
SCHEMBL6682219 0.96 LPAR1 (0.43) LPAR1LPAR5ADRB3ADRB1LPAR3
SCHEMBL6680794 0.94 ADRB3 (0.43) LPAR1LPAR5ADRB3ADRB1LPAR3
SCHEMBL6680799 0.94 ADRB3 (0.43) LPAR1LPAR5ADRB3ADRB1LPAR3
SCHEMBL6801228 0.93 ADRB3 (0.40) LPAR1LPAR5ADRB3ADRB1KCNH2
SCHEMBL6801226 0.93 ADRB3 (0.40) LPAR1LPAR5ADRB3ADRB1KCNH2
SCHEMBL6805823 0.91 ADRB3 (0.37) LPAR1LPAR5ADRB3ADRB1KCNH2
SCHEMBL6676293 0.89 ADRB3 (0.53) LPAR1LPAR5ADRB3ADRB1
SCHEMBL6676289 0.89 ADRB3 (0.53) LPAR1LPAR5ADRB3ADRB1

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-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed