SCHEMBL9484349

SCHEMBL9484349

CC1CC(=O)NN=C1c1ccc(OCCCO)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.70
PDE3B Q13370 12/20 0.54
PDE3A Q14432 12/20 0.54
PDE4A P27815 4/20 0.52
PDE4B Q07343 4/20 0.52
PDE4C Q08493 4/20 0.52
PDE4D Q08499 4/20 0.52
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
GFER P55789 1/20 0.50
TNNC1 P63316 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GALR3 O60755 1/20 0.48

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
SCHEMBL7291472 0.88 HRH3 (0.70) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL7300116 0.86 HRH3 (0.68) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL7327130 0.82 HRH3 (0.60) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL1376025 0.82 HRH3 (1.00) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL10423532 0.82 HRH3 (0.60) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL1376834 0.82 HRH3 (1.00) HRH3PDE3BPDE3AKCNH2
SCHEMBL10369572 0.81 HRH3 (0.59) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL10423533 0.81 HRH3 (0.59) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL4064155 0.81 HRH3 (0.61) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL10353457 0.81 PDE3B (0.71) 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-5258519-A FOR TREATMENT OF HYPERTENSION AND CARDIAC CONDITIONS GLAXO INC. (US) 1993-11-02 US disclosed
US-5100892-A Hypotensive agents, congestive heart failure GLAXO INC. (US) 1992-03-31 US disclosed