SCHEMBL10764405

SCHEMBL10764405

CC1CC(=O)NN=C1C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 8/20 0.61
▸ PDE3B Q13370 5/20 0.61
▸ AHR P35869 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ PDE4B Q07343 3/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ NQO2 P16083 1/20 0.36

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
SCHEMBL10763204 0.85 PDE3B (0.51) PDE3APDE3BPTGS1PIM1PIM2
SCHEMBL10761737 0.83 PDE3B (0.67) PDE3APDE3BPBRM1CYP3A4CYP2D6
SCHEMBL10765163 0.82 PDE3B (0.65) PDE3APDE3BAHRPBRM1PDE4B
SCHEMBL10761194 0.82 PDE3B (0.65) PDE3APDE3BPBRM1PDE4B
SCHEMBL10759796 0.82 PDE3B (0.69) PDE3APDE3BPBRM1PDE4B
SCHEMBL7285568 0.82 PDE3B (0.65) PDE3APDE3BPBRM1PDE4B
SCHEMBL10760728 0.80 PDE3B (0.73) PDE3APDE3BPBRM1CYP3A4CYP1A2
SCHEMBL10767384 0.80 PDE3B (0.62) PDE3APDE3BPTGS1
SCHEMBL10761240 0.80 PDE3B (0.62) PDE3APDE3BPBRM1CYP1A2PDE4B
SCHEMBL10760276 0.79 PDE3B (0.61) PDE3APDE3BPBRM1PTGS1PDE4B

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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