SCHEMBL7303813

SCHEMBL7303813

CC(C)COCCc1ccc(OCC(O)CNCCc2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
MAOA P21397 1/20 0.39
ADORA2A P29274 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
HRH3 Q9Y5N1 2/20 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
SCHEMBL7303819 0.95 PDE3B (0.46) ABCB11MAOAADORA2APDE3BPDE3A
Hydrochloric Acid SCHEMBL7304593 0.90 LMNA (0.45) ABCB11MAOAADORA2APDE3BPDE3A
SCHEMBL7297387 0.88 ABCB11 (0.40) ABCB11MAOAADORA2APDE3BPDE3A
SCHEMBL7302583 0.87 MAPT (0.42)
SCHEMBL7301195 0.83 HRH3 (0.40) PDE3BPDE3AGPR119HRH3
SCHEMBL7297393 0.82 PDE3B (0.47) ABCB11MAOAADORA2APDE3BPDE3A
SCHEMBL7302590 0.81 MAPT (0.42)
SCHEMBL7305054 0.81 SLC22A1 (0.39) ABCB11MAOAADORA2APDE3BPDE3A
SCHEMBL9687447 0.81 MAPK1 (0.41) PDE3BPDE3AGPR119
SCHEMBL7303996 0.80 CTSS (0.43) GPR119

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