SCHEMBL7320976

SCHEMBL7320976

CC1CC(=O)NN=C1c1ccc(NC(=O)C(C)c2ccccc2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.54
PDE3A Q14432 10/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 3/20 0.48
GALR3 O60755 2/20 0.48
THRB P10828 1/20 0.48
GPR119 Q8TDV5 3/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
NCOR2 Q9Y618 3/20 0.43

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 0.88 PDE3B (0.60) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7311327 0.86 PDE3B (0.52) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11289838 0.85 PDE3B (0.55) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7314234 0.84 SMN1; SMN2 (0.66) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7326436 0.83 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7315143 0.82 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16157001 0.82 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10741604 0.82 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10736926 0.80 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7350479 0.79 PDE3B (0.57) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1

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-4361563-A CARDIOTONIC, ANTITHROMBOTIC DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-11-30 US disclosed
EP-0008391-A1 Benzimidazoles, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1980-03-05 EP disclosed