SCHEMBL7303666

SCHEMBL7303666

CCCCOCCOCc1ccc(OCC(O)CNCCOc2ccc(C3=NNC(=O)CC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.48
HRH3 Q9Y5N1 3/20 0.44
ADRB3 P13945 7/20 0.42
ADRB2 P07550 6/20 0.42
ADRB1 P08588 6/20 0.42
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 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
SCHEMBL7297332 0.91 LMNA (0.47) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7305413 0.91 LMNA (0.47) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7294156 0.91 ADRB2 (0.54) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7296778 0.83 ATM (0.45) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7303245 0.82 ADRB2 (0.48) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7331432 0.82 ADRB2 (0.48) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL9688163 0.82 ADRB2 (0.43) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7302577 0.82 LMNA (0.53) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL9686910 0.82 ADRB2 (0.47) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7337397 0.82 ADRB2 (0.47) LMNANPY1RNPY2RMAPTKMT2A

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