SCHEMBL7610399

SCHEMBL7610399

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
OPRM1 P35372 1/20 0.71
OPRD1 P41143 1/20 0.71
KMT2A Q03164 1/20 0.71
ABCB1 P08183 7/20 0.62
ADRB1 P08588 10/20 0.59
ADRB3 P13945 10/20 0.59
ADRB2 P07550 2/20 0.53
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL7609910 0.90 ADRB1 (0.57) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7612538 0.89 MEN1 (0.71) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL6327240 0.88 MEN1 (0.70) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7033981 0.88 MEN1 (0.70) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7612152 0.87 MEN1 (0.68) MEN1OPRM1OPRD1KMT2AABCB1
Hydrochloric Acid SCHEMBL7027080 0.87 MEN1 (0.68) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7613177 0.85 MEN1 (0.65) MEN1OPRM1OPRD1KMT2AABCB1
SCHEMBL7025407 0.85 MEN1 (0.65) MEN1OPRM1OPRD1KMT2AABCB1
Sulfuric Acid SCHEMBL7025416 0.84 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AABCB1
Phosphoric Acid SCHEMBL7022139 0.84 MEN1 (0.64) MEN1OPRM1OPRD1KMT2AABCB1

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