SCHEMBL4784374

SCHEMBL4784374

CC(=O)c1c(-c2ccccn2)nn(CCO)c(=O)c1Nc1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
IL15 P40933 1/20 0.35
CXCL8 P10145 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3040798 0.86 PARP1 (0.43) PDE4BRAB9A
SCHEMBL1652642 0.86 PDE4B (0.43) PDE4B
SCHEMBL1652695 0.80 PDE4B (0.48) PDE4B
SCHEMBL3029577 0.77 GRM4 (0.43) PDE4B
SCHEMBL4706937 0.77 PDE4B (0.54) PDE4BTP53
SCHEMBL1652702 0.77 PDE4B (0.52) PDE4BRAB9A
SCHEMBL3022756 0.77 PDE4B (0.47) PDE4BRAB9ATP53
SCHEMBL3022788 0.76 TP53 (0.34) TP53CYP2C9HTT
SCHEMBL3022206 0.75 CSF1R (0.48) RAB9AHTT
SCHEMBL3038538 0.75 PDE4B (0.45) PDE4BRAB9AHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed