SCHEMBL8308651

SCHEMBL8308651

O=c1c2cccnc2c(-c2cccc(Cl)c2)nn1C1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.66
PDE4D Q08499 6/20 0.58
PDE4C Q08493 5/20 0.58
PDE4B Q07343 4/20 0.58
PDE3B Q13370 2/20 0.58
PDE3A Q14432 2/20 0.58
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
DNMT3A Q9Y6K1 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.40
TNF P01375 2/20 0.38
LITAF Q99732 2/20 0.38
KAT2B Q92831 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL7364894 0.80 PDE4A (0.57) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL8308698 0.78 PDE4A (0.57) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7370138 0.78 PDE4A (0.55) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL16535883 0.77 PDE4A (0.44) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7363890 0.76 PDE4A (0.61) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7359405 0.76 PDE4A (0.61) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7363454 0.76 PDE4A (0.74) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7370081 0.76 PDE4A (0.55) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7370144 0.76 PDE4A (0.65) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL9376018 0.76 PDE4A (0.55) PDE4APDE4DPDE4CPDE4BPDE3B

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
EP-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed