SCHEMBL10759927

SCHEMBL10759927

C#CCOc1cccc(C=CC2=NNC(=O)CC2C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.48
▸ PDE3A Q14432 5/20 0.48
▸ MAOB P27338 8/20 0.40
▸ CA12 O43570 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ MAOA P21397 2/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL10765345 0.87 PDE3B (0.56) PDE3BPDE3AMAOBCA12CA2
SCHEMBL10761951 0.84 NPC1 (0.48) PDE3BPDE3APTGS2PTGS1GPR119
SCHEMBL10763704 0.82 PDE3A (0.47) PDE3BPDE3ACA12CA2CA9
SCHEMBL10762324 0.81 MAOB (0.43) PDE3BPDE3AMAOBCA12CA2
SCHEMBL10763644 0.81 PDE3B (0.37) PDE3BPDE3AMAOBGPR119MAOA
SCHEMBL10762047 0.80 RELA (0.56) PDE3BPDE3A
SCHEMBL10763361 0.79 PDE3B (0.46) PDE3BPDE3AMAOBPTGS2PTGS1
SCHEMBL10764678 0.79 PDE3B (0.43) PDE3BPDE3AMAOBCA12CA2
SCHEMBL10764318 0.79 PDE3B (0.57) PDE3BPDE3AMAOBPTGS2PTGS1
SCHEMBL10765577 0.78 PDE3B (0.47) PDE3BPDE3AMAOBPTGS2PTGS1

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-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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