SCHEMBL7305413

SCHEMBL7305413

CCCCOCCOCc1ccc(OCC(O)CNCCOc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRB3 P13945 2/20 0.38
ADRB1 P08588 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7297332 0.93 LMNA (0.47) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7331432 0.92 ADRB2 (0.48) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7337397 0.91 ADRB2 (0.47) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7303666 0.91 LMNA (0.57) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL9688163 0.91 ADRB2 (0.43) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL8266689 0.88 LMNA (0.44) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL5655474 0.87 LMNA (0.53) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL4884907 0.87 ADRB1 (0.48) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL4888940 0.86 LMNA (0.42) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL14023059 0.86 ADRB2 (0.47) KMT2AADRB2ADRB3ADRB1

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