SCHEMBL10464408

SCHEMBL10464408

O=C1CCc2cc(C(=Cn3ccnc3)CCCc3ccccc3)ccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 4/20 0.50
▸ PDE3B Q13370 4/20 0.50
▸ PDE3A Q14432 4/20 0.50
▸ MAOA P21397 4/20 0.47
▸ MAOB P27338 4/20 0.47
▸ CRBN Q96SW2 7/20 0.44
▸ HTR1A P08908 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ GRIN2B Q13224 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ULK1 O75385 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 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
SCHEMBL10464407 1.00 TBXAS1 (0.50) TBXAS1PDE3BPDE3AMAOAMAOB
SCHEMBL10463430 0.89 TBXAS1 (0.53) TBXAS1PDE3BPDE3AMAOAMAOB
SCHEMBL10463429 0.89 TBXAS1 (0.53) TBXAS1PDE3BPDE3AMAOAMAOB
SCHEMBL10461783 0.87 TBXAS1 (0.53) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10461784 0.87 TBXAS1 (0.53) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10461794 0.86 TBXAS1 (0.53) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10461793 0.86 TBXAS1 (0.53) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10464816 0.85 TBXAS1 (0.52) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10464817 0.85 TBXAS1 (0.52) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10464395 0.85 TBXAS1 (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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