SCHEMBL8108966

SCHEMBL8108966

C=CC(N)C1CCOc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
SSTR4 P31391 1/20 0.33
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
DPP4 P27487 1/20 0.32
PIK3CA P42336 1/20 0.31
MAP3K14 Q99558 1/20 0.31
KCNH2 Q12809 2/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL10622763 0.84 DRD2 (0.36)
SCHEMBL28297416 0.75 ITGB2 (0.41) ITGB2ICAM1ITGALSSTR4LMNA
SCHEMBL12609018 0.75 MAP3K14 (0.42) ITGB2ICAM1ITGALSSTR4LMNA
SCHEMBL12609033 0.75 MAP3K14 (0.42) ITGB2ICAM1ITGALSSTR4LMNA
SCHEMBL802264 0.75 MAP3K14 (0.42) ITGB2ICAM1ITGALSSTR4LMNA
SCHEMBL21423461 0.72 ITGB2 (0.39) ITGB2ICAM1ITGALSSTR4LMNA
SCHEMBL29332749 0.72 MAP3K14 (0.40) ITGB2ICAM1ITGALSSTR4LMNA
SCHEMBL9053970 0.70 IDO1 (0.46)
SCHEMBL6652443 0.70 SSTR4 (0.41) ITGB2ICAM1ITGALSSTR4SMN1; SMN2
SCHEMBL11665711 0.69 IDO1 (0.41)

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
EP-0779288-B1 Substituted chromanylsulfonyl(thio)ureas, process for their preparation, their use in pharmaceutical compositions and preparations containing them HOECHST AG (DE) 2000-03-29 EP disclosed
US-5811448-A PHARMACEUTICALS USEFUL FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0779288-A1 Substituted chromanylsulfonyl(thio)ureas, process for their preparation, their use in pharmaceutical compositions and preparations containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-18 EP disclosed