SCHEMBL7290394

SCHEMBL7290394

O=c1ccc(-c2ccc(OCCn3ccnc3)cc2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 10/20 0.58
▸ HRH3 Q9Y5N1 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ PDE3B Q13370 1/20 0.55
▸ PDE3A Q14432 1/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NOS1 P29475 1/20 0.52
▸ LTA4H P09960 1/20 0.51

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
SCHEMBL7280275 0.81 PDE3B (0.59) TBXAS1HRH3PDE3BPDE3AMEN1
SCHEMBL7280421 0.79 PDE3B (0.61) PDE3BPDE3A
SCHEMBL10196775 0.75 HRH3 (0.66) HRH3MEN1LMNAKMT2A
SCHEMBL10963711 0.75 LMNA (0.65) HRH3ALDH1A1MAPK1PDE3BPDE3A
SCHEMBL7306800 0.75 HRH3 (0.62) HRH3PDE3BPDE3AMEN1LMNA
SCHEMBL3604079 0.75 HRH3 (0.66) HRH3MAPK1PDE3BPDE3AMEN1
SCHEMBL1373074 0.73 HRH3 (1.00) HRH3
SCHEMBL10750806 0.73 TBXAS1 (0.63) TBXAS1KDM4EALDH1A1MAPK1MEN1
Bromide SCHEMBL8110043 0.73 HRH3 (0.63) HRH3PDE3BPDE3AMEN1LMNA
SCHEMBL8791883 0.73 HRH3 (0.63) HRH3PDE3BPDE3AMEN1LMNA

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-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US disclosed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP disclosed
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