SCHEMBL10765719

SCHEMBL10765719

C#CCSc1ccc(C=C(C)C2=NNC(=O)CC2C)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 12/20 0.38
▸ PDE4B Q07343 10/20 0.38
▸ PDE3B Q13370 5/20 0.38
▸ PDE4A P27815 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ PTGS2 P35354 2/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ NQO2 P16083 1/20 0.30

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
SCHEMBL10763897 0.93 PDE3A (0.40) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10767519 0.86 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10760114 0.86 PDE3A (0.42) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10766286 0.83 PDE3B (0.38) PDE3APDE3BGAAMAPT
SCHEMBL10765095 0.81 PDE3B (0.33) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764436 0.81 PDE3A (0.37) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10759456 0.80 PDE3A (0.45) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764805 0.79 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10762398 0.79 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765553 0.79 PTGS2 (0.37) PDE3APDE4BPDE3BPTGS2GPR119

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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