SCHEMBL10465017

SCHEMBL10465017

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 5/20 0.53
▸ PDE3B Q13370 5/20 0.53
▸ PDE3A Q14432 5/20 0.53
▸ CRBN Q96SW2 8/20 0.47
▸ TNIK Q9UKE5 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35

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
SCHEMBL10465015 1.00 TBXAS1 (0.53) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10463828 0.90 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10463829 0.90 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464316 0.84 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464317 0.84 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464754 0.82 TBXAS1 (0.60) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464753 0.82 TBXAS1 (0.60) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464395 0.82 TBXAS1 (0.55) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10464393 0.82 TBXAS1 (0.55) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10461783 0.80 TBXAS1 (0.53) TBXAS1PDE3BPDE3ACRBNTNIK

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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