Bendacalol

Bendacalol

SCHEMBL11047717

O[C@H](CNC[C@H](O)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 5/20 0.45
HTR1A P08908 2/20 0.45
MLNR O43193 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
KCNE1 P15382 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
NPY1R P25929 1/20 0.45

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
Bendacalol SCHEMBL11050612 0.98 LMNA (0.51) LMNAMAPTSMN1; SMN2NPSR1KMT2A
Bendacalol SCHEMBL588993 0.92 LMNA (0.52) LMNAMAPTSMN1; SMN2NPSR1KMT2A
Bendacalol SCHEMBL29400550 0.92 LMNA (0.52) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL7441442 0.88 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
Hydrochloric Acid SCHEMBL11044563 0.87 POLB (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL11112393 0.85 HPGD (0.48) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL11053241 0.84 LMNA (0.43) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL7434948 0.83 LMNA (0.51) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL11055545 0.82 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL11279575 0.82 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471128-A 1,5-Bis-(1,4-benzodioxin-2-yl)-3-azapentane-1,5-diols CIBA-GEIGY CORPORATION (US) 1984-09-11 US claimed
US-4471127-A 1-5-Bis-(1,4-benzodioxin-2-yl)-3-azapentane-1,5-diols CIBA-GEIGY CORPORATION (US) 1984-09-11 US claimed
EP-0050585-A1 1,5-Bis-(1,4-benzodioxin-2-yl)-3-azapentane-1,5 diols, process for their preparation, pharmaceutical preparations containing them and their therapeutical use CIBA-GEIGY AG (CH) 1982-04-28 EP claimed
US-4313955-A HYPOTESIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-02 US claimed
US-20220047505-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2022-02-17 US disclosed
EP-0050585-B1 1,5-BIS-(1,4-BENZODIOXIN-2-YL)-3-AZAPENTANE-1,5 DIOLS, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1984-10-03 EP disclosed
US-4471127-A 1-5-Bis-(1,4-benzodioxin-2-yl)-3-azapentane-1,5-diols CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed
US-4471127-A 1-5-Bis-(1,4-benzodioxin-2-yl)-3-azapentane-1,5-diols CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed
US-4471128-A 1,5-Bis-(1,4-benzodioxin-2-yl)-3-azapentane-1,5-diols CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed
US-4471128-A 1,5-Bis-(1,4-benzodioxin-2-yl)-3-azapentane-1,5-diols CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed
US-4380653-A HYPOTENSIVES, CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1983-04-19 US disclosed
US-4380653-A HYPOTENSIVES, CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1983-04-19 US disclosed
US-4313955-A HYPOTESIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-02 US disclosed
US-4313955-A HYPOTESIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-02 US disclosed