SCHEMBL7688955

SCHEMBL7688955

OC[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
BACE1 P56817 1/20 0.43
POLB P06746 1/20 0.43
ADRB3 P13945 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
BCHE P06276 1/20 0.38
GPR34 Q9UPC5 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL6478257 0.92 POLB (0.50) OPRD1OPRK1ALDH1A1MAPK1MAPT
SCHEMBL6539034 0.83 MAOB (0.48) ALDH1A1MAPK1MAPTGAAPOLB
SCHEMBL6538633 0.83 POLB (0.49) OPRD1OPRK1ALDH1A1MAPK1MAPT
SCHEMBL6538577 0.83 POLB (0.49) OPRD1OPRK1ALDH1A1MAPK1MAPT
SCHEMBL7042715 0.82 OPRD1 (0.40) OPRD1OPRK1ALDH1A1MAPK1MAPT
SCHEMBL7686428 0.81 ADRB1 (0.49) ALDH1A1MAPK1MAPTGAAPOLB
SCHEMBL7043048 0.81 POLB (0.43) ALDH1A1MAPK1MAPTGAAPOLB
SCHEMBL7040315 0.81 POLB (0.49) OPRD1ALDH1A1MAPK1MAPTGAA
SCHEMBL7037724 0.80 OPRD1 (0.38) OPRD1OPRK1ALDH1A1MAPK1MAPT
SCHEMBL6477918 0.80 LPAR1 (0.39) ALDH1A1MAPK1MAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed