SCHEMBL7328362

SCHEMBL7328362

CC1CC(=O)NN=C1c1ccc(OCCNC(O)C(O)Cc2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
PDE3B Q13370 9/20 0.42
PDE3A Q14432 9/20 0.42
GPR119 Q8TDV5 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 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
SCHEMBL7329278 0.92 GPR119 (0.45) HRH3PDE3BPDE3AGPR119PDE4A
SCHEMBL7295525 0.80 PDE3B (0.40) PDE3BPDE3AGPR119SMN1; SMN2MAPT
SCHEMBL7295661 0.79 GPR119 (0.41) PDE3BPDE3AGPR119
SCHEMBL7295544 0.78 GPR119 (0.41) PDE3BPDE3AGPR119
SCHEMBL9484349 0.71 HRH3 (0.70) HRH3PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL7329284 0.70 GPR119 (0.45) GPR119SMN1; SMN2MAPTKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL7331760 0.69 SMN1; SMN2 (0.40) PDE3BPDE3AGPR119SMN1; SMN2MAPT
SCHEMBL7299789 0.68 ADRB1 (0.49) HRH3KDM4E
SCHEMBL7305182 0.68 HRH3 (0.46) HRH3PDE3BPDE3AGPR119SMN1; SMN2
SCHEMBL7335953 0.67 HRH3 (0.69) HRH3PDE3BPDE3AGPR119SMN1; SMN2

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