SCHEMBL10838022

SCHEMBL10838022

O=C1CCc2cc(/C=C/CCCl)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.52
▸ PDE3B Q13370 3/20 0.52
▸ PDE3A Q14432 3/20 0.52
▸ KIF11 P52732 4/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ PKM P14618 5/20 0.42
▸ MAOA P21397 4/20 0.42
▸ MAOB P27338 4/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ PKLR P30613 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL10838028 1.00 TBXAS1 (0.52) TBXAS1PDE3BPDE3AKIF11NPC1
SCHEMBL10836211 0.90 TBXAS1 (0.56) TBXAS1PDE3BPDE3AKIF11NPC1
SCHEMBL10836202 0.90 TBXAS1 (0.56) TBXAS1PDE3BPDE3AKIF11NPC1
SCHEMBL5534848 0.79 PDE3B (0.50) TBXAS1PDE3BPDE3AKIF11NPC1
SCHEMBL10837579 0.77 TBXAS1 (0.47) TBXAS1PDE3BPDE3AMAOAMAOB
SCHEMBL10837575 0.77 TBXAS1 (0.47) TBXAS1PDE3BPDE3AMAOAMAOB
SCHEMBL3952072 0.77 PDE3B (0.53) TBXAS1PDE3BPDE3AKIF11NPC1
SCHEMBL31590987 0.77 PDE3B (0.53) TBXAS1PDE3BPDE3AKIF11NPC1
SCHEMBL5539812 0.77 PDE3B (0.48) TBXAS1PDE3BPDE3AKIF11NPC1
SCHEMBL10837487 0.76 MAOA (0.51) TBXAS1PDE3BPDE3AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4619932-A CENTRAL NERVOUS SYSTEM CONTROLLERS; ANTI-SCHIZOPHRENIA AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-10-28 — — US disclosed
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 — — US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 — — US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 — — US disclosed
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