SCHEMBL9199243

SCHEMBL9199243

CN1C(=O)COc2cc(S)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.53
CYP11B1 P15538 1/20 0.53
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
HTR1A P08908 4/20 0.43
HTR2C P28335 3/20 0.43
GABRA5 P31644 3/20 0.42
GABRA1 P14867 1/20 0.42
IDH1 O75874 1/20 0.41
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
ALOX5 P09917 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
F10 P00742 1/20 0.37
GRM4 Q14833 1/20 0.36
SYK P43405 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
SCHEMBL994096 0.83 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL5985192 0.81 CYP11B2 (0.55) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL30336213 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL22077625 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL3331324 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL9411106 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL15059383 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL520359 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL12101220 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL8146771 0.80 CYP11B2 (0.50) CYP11B2CYP11B1PDE3BPDE3AHTR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO disclosed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP disclosed
US-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 US disclosed
US-5321025-A Inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-14 US disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0485111-A2 The use of lipoxygenase and cyclooxygenase inhibitors as synergistic agents ZENECA LIMITED (GB) 1992-05-13 EP disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed