SCHEMBL7604970

SCHEMBL7604970

COc1ccc(C(CN(Cc2ccccc2)[C@@H](CO)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.43
ADRB3 P13945 12/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
F7 P08709 1/20 0.39
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 5/20 0.36
ADRB1 P08588 4/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL7605292 0.88 ACP1 (0.42) NR3C1ADRB3CYP19A1ALDH1A1
SCHEMBL7611069 0.83 MEN1 (0.37) F2F10PRSS1F7MEN1
SCHEMBL7609423 0.83 ADRB3 (0.40) NR3C1ADRB3CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL7608285 0.83 ADRB3 (0.40) NR3C1ADRB3CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL7610067 0.82 AR (0.38) NR3C1ADRB3CYP19A1MEN1ALDH1A1
SCHEMBL7606900 0.82 ADRB3 (0.38) NR3C1ADRB3CYP19A1SMN1; SMN2PGR
SCHEMBL7606895 0.81 ABCB1 (0.44) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7610741 0.80 ADRB3 (0.33) ADRB3ADRB2ADRB1
SCHEMBL7614703 0.79 SMN1; SMN2 (0.41) NR3C1CYP19A1MEN1ALDH1A1KMT2A
SCHEMBL7611191 0.77 ALDH1A1 (0.44) MEN1ALDH1A1KMT2ASMN1; 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