SCHEMBL7605875

SCHEMBL7605875

COC(=O)Nc1ccc(C(CNCC(O)COc2ccc(OCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2)c2ccc(N(Cc3ccccc3)C(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 17/20 0.46
ADRB3 P13945 17/20 0.46
ADRB2 P07550 16/20 0.46
NR3C1 P04150 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7607637 0.81 ABCB1 (0.42) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL7611045 0.81 ADRB3 (0.54) ADRB1ADRB3ADRB2
SCHEMBL7536025 0.80 NPC1 (0.51) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL7605880 0.77 NPC1 (0.43) ADRB1ADRB3ADRB2NR3C1NPC1
SCHEMBL7597017 0.76 MEN1 (0.53) ADRB1ADRB3ADRB2
SCHEMBL7614695 0.75 SMN1; SMN2 (0.42) NR3C1NPC1RAB9ASMN1; SMN2
SCHEMBL7614703 0.75 SMN1; SMN2 (0.41) NR3C1NPC1RAB9ASMN1; SMN2
SCHEMBL7609851 0.71 NPC1 (0.39) ADRB1ADRB2NR3C1NPC1RAB9A
SCHEMBL7612154 0.71 NPC1 (0.39) ADRB1ADRB2NR3C1NPC1RAB9A
SCHEMBL7608477 0.71 ADRB3 (0.59) ADRB1ADRB3ADRB2SMN1; SMN2

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