SCHEMBL6538577

SCHEMBL6538577

Nc1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 6/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 3/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
OPRD1 P41143 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
ESR1 P03372 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
SCHEMBL6538633 1.00 POLB (0.49) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL6539034 0.94 MAOB (0.48) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL6478257 0.90 POLB (0.50) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL7686428 0.87 ADRB1 (0.49) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL7040315 0.86 POLB (0.49) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL6540032 0.85 POLB (0.46) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL7246502 0.85 POLB (0.48) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL6539970 0.84 GAA (0.51) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL7042799 0.84 POLB (0.43) POLBALDH1A1MAPK1MAPTGAA
SCHEMBL7037437 0.83 ALDH1A1 (0.52) POLBALDH1A1MAPTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6826033-B2 BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US disclosed
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed