SCHEMBL7307403

SCHEMBL7307403

CC1CC(=O)NN=C1c1ccc2c(c1)ncn2CCN

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.50
▸ PDE3A Q14432 12/20 0.50
▸ PDE4A P27815 2/20 0.48
▸ PDE4B Q07343 2/20 0.48
▸ PDE4C Q08493 2/20 0.48
▸ PDE4D Q08499 2/20 0.48
▸ BRD4 O60885 2/20 0.48
▸ GPR119 Q8TDV5 1/20 0.48
▸ GALR3 O60755 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL7299672 0.78 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6650777 0.72 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7306991 0.72 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.71 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL992766 0.71 GALR3 (0.72) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7295007 0.71 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11331025 0.71 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL19248285 0.71 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9781546 0.70 BRD4 (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7300116 0.70 HRH3 (0.68) 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 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
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