SCHEMBL7536027

SCHEMBL7536027

COC(=O)Nc1ccc(C(CCNC[C@H](O)COc2ccc(O)cc2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.62
ADRB1 P08588 14/20 0.62
ADRB2 P07550 6/20 0.62
ABCB1 P08183 4/20 0.59
MEN1 O00255 1/20 0.57
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL7536453 1.00 ADRB3 (0.62) ADRB3ADRB1ADRB2ABCB1MEN1
SCHEMBL6327240 0.91 MEN1 (0.70) ADRB3ADRB1ADRB2ABCB1MEN1
SCHEMBL7033981 0.91 MEN1 (0.70) ADRB3ADRB1ADRB2ABCB1MEN1
Hydrochloric Acid SCHEMBL7027080 0.90 MEN1 (0.68) ADRB3ADRB1ADRB2ABCB1MEN1
SCHEMBL7540471 0.88 MEN1 (0.56) ADRB3ADRB1ADRB2ABCB1MEN1
SCHEMBL7540461 0.88 MEN1 (0.56) ADRB3ADRB1ADRB2ABCB1MEN1
Phosphoric Acid SCHEMBL7022139 0.88 MEN1 (0.64) ADRB3ADRB1ADRB2ABCB1MEN1
Sulfuric Acid SCHEMBL7025416 0.88 MEN1 (0.64) ADRB3ADRB1ADRB2ABCB1MEN1
Sulfuric Acid SCHEMBL7598698 0.88 MEN1 (0.64) ADRB3ADRB1ADRB2ABCB1MEN1
SCHEMBL7610759 0.85 ADRB3 (0.57) ADRB3ADRB1ADRB2ABCB1MEN1

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