SCHEMBL7326436

SCHEMBL7326436

CC1CC(=O)NN=C1c1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.51
PDE3A Q14432 9/20 0.51
POLB P06746 2/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GALR3 O60755 2/20 0.46
THRB P10828 1/20 0.46
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL7307747 0.84 PDE3B (0.60) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7320976 0.83 PDE3B (0.54) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11289838 0.82 PDE3B (0.55) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7311327 0.81 PDE3B (0.52) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9878030 0.80 HDAC1 (0.52) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7315143 0.79 PDE3B (0.54) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10741604 0.79 PDE3B (0.77) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16157001 0.79 PDE3B (0.77) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7314234 0.79 SMN1; SMN2 (0.66) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7350479 0.76 PDE3B (0.57) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1

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