SCHEMBL7303102

SCHEMBL7303102

NCCn1c(O)nc2cc(C3=NNC(=O)CC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 8/20 0.43
▸ PDE3A Q14432 8/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL7295569 0.87 PDE3B (0.45) PDE3BPDE3AMEN1KMT2AALDH1A1
SCHEMBL7304282 0.83 MAPT (0.41) PDE3BPDE3AMEN1KMT2AALDH1A1
SCHEMBL7306629 0.81 CYP1A2 (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7303295 0.77 PDE3B (0.44) PDE3BPDE3AMEN1KMT2APDE4A
SCHEMBL7299672 0.77 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7306991 0.73 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7293305 0.69 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7421090 0.69 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11149621 0.68 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9184755 0.68 PDE3B (0.57) 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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