SCHEMBL9167178

SCHEMBL9167178

O=C1CCc2cc(C(=O)C[S+]([O-])c3nccn3-c3ccccc3)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ GRIN2B Q13224 2/20 0.46
▸ CRBN Q96SW2 7/20 0.43
▸ TBXAS1 P24557 2/20 0.40
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ OGT O15294 2/20 0.39
▸ MAOA P21397 3/20 0.39
▸ MAOB P27338 3/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9170969 0.79 ALDH1A1 (0.59) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL9169224 0.79 HTR1A (0.47) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL9170956 0.75 HTR1A (0.45) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL9249330 0.72 CRBN (0.41) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL9170241 0.72 ALDH1A1 (0.46) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL9170234 0.72 ALDH1A1 (0.46) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL10464326 0.69 GRIN2B (0.60) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL23196645 0.68 ALPG (0.47) —
SCHEMBL10837493 0.68 HTR1A (0.65) HTR1ADRD4HTR2AHTR7DRD3
SCHEMBL8499767 0.68 MAOA (0.47) HTR1ADRD4HTR2AHTR7DRD3

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-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 — — US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 — — EP disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 — — US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 — — EP disclosed
Send feedback