SCHEMBL7597017

SCHEMBL7597017

COC(=O)Nc1ccc(C(CCNC[C@H](O)COc2ccccc2)c2ccc(N(Cc3ccccc3)C(=O)OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRB1 P08588 13/20 0.51
ADRB3 P13945 13/20 0.51
ABCB1 P08183 6/20 0.51
ADRB2 P07550 5/20 0.47

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
SCHEMBL7536025 0.95 NPC1 (0.51) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL7607637 0.88 ABCB1 (0.42) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL6327240 0.87 MEN1 (0.70) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL7033981 0.87 MEN1 (0.70) MEN1OPRM1OPRD1KMT2AADRB1
Hydrochloric Acid SCHEMBL7027080 0.86 MEN1 (0.68) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL7023503 0.84 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AADRB1
Phosphoric Acid SCHEMBL7022139 0.84 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AADRB1
Sulfuric Acid SCHEMBL7025416 0.84 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AADRB1
Sulfuric Acid SCHEMBL7598698 0.84 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL7027564 0.83 MEN1 (0.51) MEN1OPRM1OPRD1KMT2AADRB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed