SCHEMBL7337397

SCHEMBL7337397

CC(C)OCCOCc1ccc(OCC(O)CNCCCOc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 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
SCHEMBL7331432 0.98 ADRB2 (0.48) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL9686910 0.93 ADRB2 (0.47) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7305413 0.91 LMNA (0.47) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7303245 0.91 ADRB2 (0.48) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL9688163 0.89 ADRB2 (0.43) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7294156 0.89 ADRB2 (0.54) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL4884907 0.87 ADRB1 (0.48) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL8262868 0.87 ADRB2 (0.46) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL8266689 0.86 LMNA (0.44) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7304907 0.85 KMT2A (0.44) ADRB2ADRB3KMT2ALMNAMAPT

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