SCHEMBL10464753

SCHEMBL10464753

C/C(=C\n1ccnc1)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 5/20 0.60
▸ PDE3B Q13370 5/20 0.60
▸ PDE3A Q14432 5/20 0.60
▸ CRBN Q96SW2 11/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ DRD3 P35462 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
SCHEMBL10464754 1.00 TBXAS1 (0.60) TBXAS1PDE3BPDE3ACRBNL3MBTL1
SCHEMBL10464317 0.86 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNL3MBTL1
SCHEMBL10463828 0.86 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNL3MBTL1
SCHEMBL10464316 0.86 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNL3MBTL1
SCHEMBL10463829 0.86 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNL3MBTL1
SCHEMBL10464395 0.84 TBXAS1 (0.55) TBXAS1PDE3BPDE3ACRBNL3MBTL1
SCHEMBL10464393 0.84 TBXAS1 (0.55) TBXAS1PDE3BPDE3ACRBNL3MBTL1
SCHEMBL10463399 0.84 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10463400 0.84 TBXAS1 (0.57) TBXAS1PDE3BPDE3ACRBNTNIK
SCHEMBL10463367 0.83 TBXAS1 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 — — US claimed
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
Send feedback