SCHEMBL7304897

SCHEMBL7304897

CC1CC(=O)NN=C1c1ccc2[nH]nnc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 15/20 0.59
▸ PDE3A Q14432 15/20 0.59
▸ PDE4A P27815 3/20 0.56
▸ PDE4B Q07343 3/20 0.56
▸ PDE4C Q08493 3/20 0.56
▸ PDE4D Q08499 3/20 0.56
▸ GALR3 O60755 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ GPR119 Q8TDV5 3/20 0.50

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
SCHEMBL6650777 0.80 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.79 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7296760 0.79 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9516140 0.79 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518319 0.78 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7423001 0.78 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9182311 0.76 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL992766 0.75 GALR3 (0.72) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157195 0.75 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6650784 0.74 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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