SCHEMBL7686428

SCHEMBL7686428

OC[C@H](Cc1ccc(Nc2ccccc2)cc1)N(Cc1ccccc1)C[C@H](O)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.49
ADRB3 P13945 8/20 0.49
POLB P06746 1/20 0.47
CDK4 P11802 5/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CDK2 P24941 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6538833 0.90 ADRB3 (0.61) ADRB1ADRB3POLBALDH1A1MAPT
SCHEMBL6478257 0.88 POLB (0.50) ADRB1ADRB3POLBALDH1A1GAA
SCHEMBL6538633 0.87 POLB (0.49) ADRB1ADRB3POLBALDH1A1GAA
SCHEMBL6538577 0.87 POLB (0.49) ADRB1ADRB3POLBALDH1A1GAA
SCHEMBL6538563 0.86 ADRB1 (0.54) ADRB1ADRB3MEN1LMNAKMT2A
SCHEMBL7040315 0.84 POLB (0.49) ADRB1ADRB3POLBALDH1A1GAA
SCHEMBL6538732 0.84 ADRB1 (0.50) ADRB1ADRB3MEN1LMNAKMT2A
SCHEMBL6539617 0.83 ADRB1 (0.57) ADRB1ADRB3POLBALDH1A1MAPT
SCHEMBL7037437 0.83 ALDH1A1 (0.52) ADRB1ADRB3POLBALDH1A1GAA
SCHEMBL7246502 0.83 POLB (0.48) ADRB1ADRB3POLBALDH1A1GAA

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