SCHEMBL7311327

SCHEMBL7311327

CC(Cc1ccccc1)C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.52
PDE3A Q14432 10/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 3/20 0.46
GALR3 O60755 2/20 0.46
THRB P10828 1/20 0.46
BRD4 O60885 1/20 0.46
GPR119 Q8TDV5 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
SCHEMBL7315143 0.86 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7320976 0.86 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7307747 0.85 PDE3B (0.60) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11289838 0.83 PDE3B (0.55) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7314234 0.81 SMN1; SMN2 (0.66) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7326436 0.81 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7307881 0.80 PDE3B (0.63) PDE3BPDE3ASMN1; SMN2MAPTGALR3
SCHEMBL10741604 0.80 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16157001 0.80 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10736926 0.78 PDE3B (0.54) 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