SCHEMBL7632638

SCHEMBL7632638

c1cc(OCCCN2CCc3ccccc3C2)cc(-c2onc3sccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
HTR5A P47898 1/20 0.47
ABCB1 P08183 3/20 0.47
ABCC1 P33527 3/20 0.47
DRD2 P14416 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 5/20 0.46
MAOA P21397 4/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7635672 0.85 HRH3 (0.52) L3MBTL1HRH1
SCHEMBL1377207 0.83 DRD3 (0.53) DRD2HTR1AHTR2AHTR7HRH1
SCHEMBL1376598 0.81 DRD2 (0.47) DRD2HTR1AHTR2ADRD3MAOB
SCHEMBL1377693 0.81 LTA4H (0.55)
SCHEMBL6070243 0.80 L3MBTL1 (0.47) L3MBTL1HTR5AABCB1ABCC1DRD2
SCHEMBL7686431 0.80 BACE1 (0.56) L3MBTL1
SCHEMBL1379788 0.80 DRD2 (0.45) DRD2HTR1AHTR2AMAOBMAOA
SCHEMBL7638803 0.78 CYP1A2 (0.38)
SCHEMBL7631973 0.77 MAOA (0.38) MAOBMAOA
SCHEMBL7633768 0.76 MAOA (0.37) MAOBMAOAMEN1KMT2A

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
EP-1216249-A2 THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP disclosed
WO-2001019832-A2 THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS, INC. (US) 2001-03-22 WO disclosed