SCHEMBL7350479

SCHEMBL7350479

CC1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2F)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.57
PDE3A Q14432 12/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GALR3 O60755 2/20 0.49
THRB P10828 1/20 0.49
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
GPR119 Q8TDV5 3/20 0.44

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
SCHEMBL7314234 0.87 SMN1; SMN2 (0.66) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL16157001 0.83 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10741604 0.83 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11293197 0.82 SMN1; SMN2 (0.67) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL9781451 0.82 SMN1; SMN2 (0.64) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL7314522 0.81 SMN1; SMN2 (0.66) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL9781487 0.80 KDM4E (0.58) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL7307747 0.80 PDE3B (0.60) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11283340 0.80 SMN1; SMN2 (0.65) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10472837 0.79 MAPT (0.74) PDE3BPDE3ASMN1; SMN2MAPTKDM4E

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