SCHEMBL7304907

SCHEMBL7304907

CC(C)COCCc1ccc(OCC(O)CNCCOc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
ADRB3 P13945 1/20 0.40
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
ADRB2 P07550 2/20 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
SCHEMBL7305660 0.93 MAPT (0.44) KMT2AMAPTADRB3LMNANPY1R
SCHEMBL14023059 0.92 ADRB2 (0.47) KMT2AADRB3ADRB2
SCHEMBL7304909 0.90 MAPT (0.43) KMT2AMAPTADRB3LMNANPY1R
SCHEMBL8262868 0.89 ADRB2 (0.46) KMT2AADRB3LMNANPY1RNPY2R
SCHEMBL9687578 0.88 ADRB1 (0.46) KMT2AADRB3LMNAADRB2
SCHEMBL7299736 0.88 KMT2A (0.45) KMT2AMAPTADRB3LMNANPY1R
SCHEMBL9686874 0.88 ADRB1 (0.47) KMT2AADRB3LMNANPY1RNPY2R
SCHEMBL7331432 0.87 ADRB2 (0.48) KMT2AMAPTADRB3LMNANPY1R
SCHEMBL14023061 0.87 ADRB2 (0.46) KMT2AADRB3LMNANPY1RNPY2R
SCHEMBL8263809 0.87 ADRB2 (0.45) KMT2AADRB3LMNANPY1RNPY2R

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