SCHEMBL7606905

SCHEMBL7606905

Oc1ccc(C(CNCc2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.53
OPRD1 P41143 3/20 0.50
OPRK1 P41145 3/20 0.50
DRD4 P21917 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MITF O75030 1/20 0.49
ANPEP P15144 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC16A3 O15427 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL8051013 0.86 BCHE (0.60) BCHEMEN1KMT2AANPEPTDP1
SCHEMBL6458060 0.86 LMNA (0.64) MEN1KMT2ATDP1SLC16A3LMNA
SCHEMBL3698479 0.84 BCHE (0.62) BCHEOPRD1OPRK1DRD4MEN1
Hydrochloric Acid SCHEMBL6463866 0.84 LMNA (0.67) MEN1KMT2ATDP1SLC16A3LMNA
SCHEMBL7608267 0.82 MEN1 (0.68) BCHEDRD4MEN1KMT2AMITF
SCHEMBL13960329 0.82 LMNA (0.72) MEN1KMT2ATDP1SLC16A3LMNA
SCHEMBL11288382 0.80 SMN1; SMN2 (0.51) BCHEMEN1KMT2ATDP1LMNA
SCHEMBL7524412 0.80 SMN1; SMN2 (0.51) BCHEMEN1KMT2ATDP1LMNA
SCHEMBL4427375 0.80 DRD4 (0.59) BCHEDRD4MEN1KMT2ATDP1
SCHEMBL9391272 0.80 MEN1 (0.58) BCHEDRD4MEN1KMT2AMITF

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