SCHEMBL10463897

SCHEMBL10463897

CC(C)/C=C(/Cn1ccnc1)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 5/20 0.54
▸ PDE3B Q13370 5/20 0.54
▸ PDE3A Q14432 5/20 0.54
▸ CRBN Q96SW2 7/20 0.49
▸ TNIK Q9UKE5 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ ALPI P09923 1/20 0.37

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
SCHEMBL10463898 1.00 TBXAS1 (0.54) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10461627 0.91 TBXAS1 (0.53) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10461629 0.91 TBXAS1 (0.53) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10462993 0.89 TBXAS1 (0.52) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10462991 0.89 TBXAS1 (0.52) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10463811 0.85 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10463810 0.85 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464398 0.84 TBXAS1 (0.48) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10464397 0.84 TBXAS1 (0.48) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10461740 0.83 ALPG (0.55) TBXAS1PDE3BPDE3ACRBNHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4921862-A Carbostyril derivatives as combined thromboxane synthetase and cyclic-amp phosphodiesterase inhibitors SYNTEX (U.S.A.) INC. (US) 1990-05-01 — — US disclosed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 — — US disclosed
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