SCHEMBL7303673

SCHEMBL7303673

O=C1CCC(c2ccc(S(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)=NN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 3/20 0.43
LMNA P02545 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
PDE3B Q13370 7/20 0.41
PDE3A Q14432 7/20 0.41
PDE2A O00408 2/20 0.41
MAPT P10636 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL7325592 0.80 HRH3 (0.67) SMN1; SMN2HRH3LMNANPY1RNPY2R
SCHEMBL7295674 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HRH3LMNANPY1RNPY2R
SCHEMBL10689941 0.75 TDP1 (0.57) SMN1; SMN2MAPTCA1CA2CA4
SCHEMBL4901340 0.74 HRH3 (0.47) SMN1; SMN2HRH3LMNANPY1RNPY2R
SCHEMBL10679990 0.73 MMP2 (0.55) LMNAMAPTCA1CA2CA4
SCHEMBL9878387 0.72 ALDH1A1 (0.45) SMN1; SMN2HRH3LMNAPDE3BPDE3A
SCHEMBL17261347 0.71 TDP1 (0.59) SMN1; SMN2MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL4764067 0.70 ALDH1A1 (0.50) SMN1; SMN2CA1CA2CA4CA9
SCHEMBL4903450 0.70 PDE4B (0.47) SMN1; SMN2HRH3LMNANPY1RNPY2R
SCHEMBL10353452 0.69 SMN1; SMN2 (0.81) SMN1; SMN2HRH3LMNANPY1RNPY2R

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
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed