SCHEMBL7295019

SCHEMBL7295019

CC1CC(=O)NN=C1c1ccc2nc(CCN)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.60
PDE3A Q14432 5/20 0.60
ABCB11 O95342 1/20 0.60
MAOA P21397 1/20 0.60
ADORA2A P29274 1/20 0.60
F10 P00742 1/20 0.60
GPR119 Q8TDV5 13/20 0.53
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
GALR3 O60755 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL7294767 0.94 PDE3B (0.60) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7295007 0.91 PDE3B (0.51) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9178937 0.88 PDE3B (0.61) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9180434 0.86 PDE3B (0.61) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7294751 0.85 PDE3B (0.50) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9877943 0.84 PDE3B (0.49) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7303063 0.82 PDE3B (0.53) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL28644807 0.82 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL16157203 0.82 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9516148 0.82 PDE3B (0.67) PDE3BPDE3AABCB11MAOAADORA2A

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