SCHEMBL7279490

SCHEMBL7279490

O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1CCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.53
PDE3A Q14432 6/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADH5 P11766 5/20 0.44
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
ENPP2 Q13822 1/20 0.41
MKNK1 Q9BUB5 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
SCHEMBL7280036 0.81 PDE3B (0.59) PDE3BPDE3ATSHRCYP3A4LMNA
SCHEMBL11238845 0.81 KMT2A (0.45) LMNAPDE4BMEN1KMT2ATHRB
SCHEMBL11400866 0.77 KMT2A (0.56) LMNAPDE4BMEN1KMT2ATHRB
SCHEMBL11149657 0.76 KMT2A (0.58) LMNAMEN1KMT2ATHRB
SCHEMBL11397697 0.76 THRB (0.45) LMNAPDE4BMEN1KMT2ATHRB
SCHEMBL11240512 0.73 PDE4B (0.52) LMNAPDE4BMEN1KMT2ATHRB
SCHEMBL11242218 0.72 PDE4B (0.48) PDE3BPDE3ALMNAPDE4BMEN1
SCHEMBL11400133 0.71 ALDH1A1 (0.45) LMNAPDE4BMEN1KMT2ATHRB
SCHEMBL11401967 0.71 TP53 (0.50) LMNAPDE4BMEN1KMT2ATHRB
Imazodan SCHEMBL148436 0.69 PDE3B (1.00) PDE3BPDE3ATSHRCYP3A4LMNA

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 3 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
US-4353905-A CARDIOTONIC AGENTS WARNER-LAMBERT COMPANY (US) 1982-10-12 US disclosed