SCHEMBL7302590

SCHEMBL7302590

CC(C)COCCc1ccc(OCC(O)CNCCc2nc3ccc(C4=NNC(=O)CC4)cc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ADRB3 P13945 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL7302583 0.94 MAPT (0.42) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7303819 0.87 PDE3B (0.46)
SCHEMBL7298235 0.83 MAPT (0.42) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7303317 0.83 MAPT (0.42) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7304907 0.83 KMT2A (0.44) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7305660 0.83 MAPT (0.44) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7299736 0.82 KMT2A (0.45) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7304909 0.82 MAPT (0.43) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7303813 0.81 ABCB11 (0.39)
SCHEMBL9686827 0.81 MAPT (0.43) MAPTKMT2ALMNANPY1RNPY2R

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