SCHEMBL7300116

SCHEMBL7300116

CC1CC(=O)NN=C1c1ccc(OCCN)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.68
PDE3B Q13370 12/20 0.53
PDE3A Q14432 12/20 0.53
PDE4A P27815 5/20 0.53
PDE4B Q07343 5/20 0.53
PDE4C Q08493 5/20 0.53
PDE4D Q08499 5/20 0.53
KCNH2 Q12809 1/20 0.52
MAPT P10636 2/20 0.48
GPR119 Q8TDV5 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
ABCB11 O95342 1/20 0.48
MAOA P21397 1/20 0.48
ADORA2A P29274 1/20 0.48
GALR3 O60755 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL7291472 0.94 HRH3 (0.70) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL9484349 0.86 HRH3 (0.70) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL7299208 0.85 GPR119 (0.55) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL7335052 0.83 HRH3 (0.57) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL10369572 0.82 HRH3 (0.59) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL10353457 0.82 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1376025 0.81 HRH3 (1.00) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL13119591 0.81 HRH3 (0.90) HRH3PDE3BPDE3AKCNH2GPR119
SCHEMBL7327130 0.81 HRH3 (0.60) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL7325184 0.81 HRH3 (0.53) HRH3PDE3BPDE3APDE4APDE4B

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