SCHEMBL7540461

SCHEMBL7540461

COC(=O)Nc1ccc(C(CCNC[C@H](O)COc2cccc(O)c2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
KMT2A Q03164 1/20 0.56
ADRB3 P13945 11/20 0.54
ABCB1 P08183 7/20 0.53
ADRB1 P08588 10/20 0.50
ADRB2 P07550 4/20 0.49

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
SCHEMBL7540471 1.00 MEN1 (0.56) MEN1OPRM1OPRD1KMT2AADRB3
SCHEMBL6327240 0.90 MEN1 (0.70) MEN1OPRM1OPRD1KMT2AADRB3
SCHEMBL7033981 0.90 MEN1 (0.70) MEN1OPRM1OPRD1KMT2AADRB3
Hydrochloric Acid SCHEMBL7027080 0.89 MEN1 (0.68) MEN1OPRM1OPRD1KMT2AADRB3
SCHEMBL7536453 0.88 ADRB3 (0.62) MEN1OPRM1OPRD1KMT2AADRB3
SCHEMBL7536027 0.88 ADRB3 (0.62) MEN1OPRM1OPRD1KMT2AADRB3
Sulfuric Acid SCHEMBL7598698 0.86 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AADRB3
Sulfuric Acid SCHEMBL7025416 0.86 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AADRB3
Phosphoric Acid SCHEMBL7022139 0.86 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AADRB3
SCHEMBL7610759 0.84 ADRB3 (0.57) MEN1OPRM1OPRD1KMT2AADRB3

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-2002036552-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-10 WO disclosed